Detailed information for compound 941889

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 346.854 | Formula: C18H23ClN4O
  • H donors: 2 H acceptors: 3 LogP: 4.77 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCCCCNc1cnc(cn1)C(=O)Nc1ccccc1Cl
  • InChi: 1S/C18H23ClN4O/c1-2-3-4-5-8-11-20-17-13-21-16(12-22-17)18(24)23-15-10-7-6-9-14(15)19/h6-7,9-10,12-13H,2-5,8,11H2,1H3,(H,20,22)(H,23,24)
  • InChiKey: LPTBNSNHEIGGHJ-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Schistosoma mansoni kinesin eg-5 0.0818 0.125 0.1438
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.0242 0.033 0.038
Brugia malayi Papain family cysteine protease containing protein 0.0242 0.033 0.1621
Schistosoma mansoni cathepsin F (C01 family) 0.0877 0.1345 0.1547
Entamoeba histolytica cysteine proteinase 1, putative 0.0675 0.1022 0.4054
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.131 0.2036 1
Echinococcus granulosus cathepsin L 0.0675 0.1022 0.0978
Entamoeba histolytica cysteine protease, putative 0.0675 0.1022 0.4054
Entamoeba histolytica cysteine protease, putative 0.0675 0.1022 0.4054
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.131 0.2036 1
Entamoeba histolytica cysteine protease, putative 0.0675 0.1022 0.4054
Brugia malayi Cathepsin L-like cysteine proteinase 0.0877 0.1345 0.6603
Entamoeba histolytica cysteine protease, putative 0.0675 0.1022 0.4054
Leishmania major cathepsin L-like protease 0.131 0.2036 1
Brugia malayi Papain family cysteine protease containing protein 0.0242 0.033 0.1621
Brugia malayi Cathepsin L-like precursor 0.131 0.2036 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.131 0.2036 1
Echinococcus multilocularis cathepsin L cysteine protease 0.131 0.2036 0.1998
Brugia malayi cathepsin F-like cysteine proteinase 0.0433 0.0636 0.3121
Plasmodium vivax unspecified product 0.0675 0.1022 0.4054
Brugia malayi Kinesin motor domain containing protein 0.0818 0.125 0.614
Plasmodium falciparum cysteine proteinase falcipain 3 0.131 0.2036 1
Brugia malayi RNA recognition motif domain containing protein 0.0065 0.0048 0.0237
Loa Loa (eye worm) hypothetical protein 0.0242 0.033 0.1621
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0242 0.033 0.1621
Echinococcus multilocularis cathepsin l cysteine peptidase 0.131 0.2036 0.1998
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0675 0.1022 0.4054
Plasmodium vivax unspecified product 0.0433 0.0636 0.1791
Plasmodium falciparum cysteine proteinase falcipain 2b 0.131 0.2036 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.131 0.2036 1
Plasmodium falciparum kinesin-5 0.0818 0.125 0.5393
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.131 0.2036 1
Loa Loa (eye worm) hypothetical protein 0.0242 0.033 0.1621
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.131 0.2036 1
Loa Loa (eye worm) papain family cysteine protease containing protein 0.131 0.2036 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0877 0.1345 0.5946
Echinococcus multilocularis cathepsin L 0.0675 0.1022 0.0978
Loa Loa (eye worm) hypothetical protein 0.0877 0.1345 0.6603
Echinococcus multilocularis cathepsin l cysteine peptidase 0.131 0.2036 0.1998
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0242 0.033 0.038
Loa Loa (eye worm) hypothetical protein 0.0242 0.033 0.1621
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.131 0.2036 1
Brugia malayi Cathepsin L-like precursor 0.131 0.2036 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.131 0.2036 1
Trypanosoma cruzi cysteine peptidase, putative 0.131 0.2036 1
Plasmodium vivax vivapain-3 0.0675 0.1022 0.4054
Entamoeba histolytica kinesin, putative 0.0818 0.125 0.5393
Brugia malayi cathepsin Z-like cysteine proteinase 0.0242 0.033 0.1621
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0242 0.033 0.038
Echinococcus multilocularis cathepsin L 0.0242 0.033 0.0283
Trypanosoma cruzi cysteine peptidase, putative 0.131 0.2036 1
Trypanosoma cruzi cysteine proteinase, putative 0.0675 0.1022 0.4054
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.0242 0.033 0.038
Brugia malayi fibroinase precursor 0.0242 0.033 0.1621
Echinococcus multilocularis cathepsin b 0.0242 0.033 0.0283
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.131 0.2036 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.131 0.2036 1
Loa Loa (eye worm) cathepsin B 0.0242 0.033 0.1621
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0433 0.0636 0.3121
Entamoeba histolytica cysteine proteinase, putative 0.131 0.2036 1
Leishmania major cathepsin L-like protease 0.131 0.2036 1
Entamoeba histolytica cysteine proteinase, putative 0.0675 0.1022 0.4054
Brugia malayi Papain family cysteine protease containing protein 0.0675 0.1022 0.5018
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0232 0.0314 0.0268
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0242 0.033 0.1621
Plasmodium vivax vivapain-1 0.0675 0.1022 0.4054
Brugia malayi cathepsin L-like precursor 0.0877 0.1345 0.6603
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.131 0.2036 1
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0675 0.1022 0.1175
Leishmania major cathepsin L-like protease 0.131 0.2036 1
Loa Loa (eye worm) hypothetical protein 0.0242 0.033 0.1621
Leishmania major cathepsin L-like protease 0.131 0.2036 1
Brugia malayi Cathepsin L-like precursor 0.131 0.2036 1
Entamoeba histolytica cysteine proteinase, putative 0.0675 0.1022 0.4054
Schistosoma mansoni cathepsin F (C01 family) 0.131 0.2036 0.2342
Giardia lamblia Kinesin-5 0.0818 0.125 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0877 0.1345 0.5946
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0242 0.033 0.038
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0242 0.033 0.038
Echinococcus multilocularis cathepsin b 0.0242 0.033 0.0283
Schistosoma mansoni cathepsin F (C01 family) 0.131 0.2036 0.2342
Loa Loa (eye worm) hypothetical protein 0.0877 0.1345 0.6603
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0242 0.033 0.038
Schistosoma mansoni tar DNA-binding protein 0.0065 0.0048 0.0055
Loa Loa (eye worm) ctsf protein 0.131 0.2036 1
Plasmodium vivax vivapain-2 0.131 0.2036 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0242 0.033 0.038
Brugia malayi Cathepsin L-like precursor 0.0877 0.1345 0.6603
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0065 0.0048 0.0237
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0675 0.1022 0.1175
Schistosoma mansoni hypothetical protein 0.0175 0.0223 0.0256
Brugia malayi Papain family cysteine protease containing protein 0.0242 0.033 0.1621
Echinococcus multilocularis cysteine protease 0.131 0.2036 0.1998
Schistosoma mansoni hypothetical protein 0.0175 0.0223 0.0256
Plasmodium falciparum cysteine proteinase falcipain 2a 0.131 0.2036 1
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0232 0.0314 0.1544
Entamoeba histolytica cysteine proteinase, putative 0.131 0.2036 1
Entamoeba histolytica cysteine proteinase 2 0.0675 0.1022 0.4054
Onchocerca volvulus 0.0877 0.1345 0.5946
Trypanosoma cruzi cysteine peptidase, putative 0.0675 0.1022 0.4054
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.131 0.2036 1
Schistosoma mansoni cathepsin B (C01 family) 0.0242 0.033 0.038
Onchocerca volvulus 0.131 0.2036 1
Onchocerca volvulus 0.131 0.2036 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0051 0.0026 0.0128
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0242 0.033 0.038
Loa Loa (eye worm) cysteine proteinase cathepsin Z 0.0242 0.033 0.1621
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.131 0.2036 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.131 0.2036 1
Brugia malayi Papain family cysteine protease containing protein 0.0675 0.1022 0.5018
Onchocerca volvulus Cathepsin F homolog 0.131 0.2036 1
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0877 0.1345 0.5946
Entamoeba histolytica cysteine protease, putative 0.0675 0.1022 0.4054
Loa Loa (eye worm) hypothetical protein 0.0433 0.0636 0.3121
Onchocerca volvulus 0.131 0.2036 1
Loa Loa (eye worm) RNA binding protein 0.0065 0.0048 0.0237
Leishmania major cysteine peptidase A (CPA) 0.131 0.2036 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.131 0.2036 1
Leishmania major cathepsin L-like protease 0.131 0.2036 1
Brugia malayi Papain family cysteine protease containing protein 0.131 0.2036 1
Entamoeba histolytica cysteine protease, putative 0.0675 0.1022 0.4054
Loa Loa (eye worm) hypothetical protein 0.131 0.2036 1
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0221 0.0298 0.0342
Brugia malayi Cathepsin L-like precursor 0.0433 0.0636 0.3121
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.131 0.2036 1
Onchocerca volvulus 0.131 0.2036 1
Echinococcus multilocularis kinesin family 1 0.6295 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0675 0.1022 0.4054
Leishmania major cathepsin L-like protease 0.131 0.2036 1
Echinococcus multilocularis geminin 0.0175 0.0223 0.0176
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.131 0.2036 1
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0675 0.1022 0.1175
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.131 0.2036 1
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.131 0.2036 1
Brugia malayi Cathepsin L-like precursor 0.131 0.2036 1
Brugia malayi cathepsin Z-like cysteine proteinase 0.0242 0.033 0.1621
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0675 0.1022 0.4054
Entamoeba histolytica cysteine protease, putative 0.0675 0.1022 0.4054
Onchocerca volvulus 0.131 0.2036 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0051 0.0026 0.0128
Plasmodium falciparum cysteine proteinase falcipain 1 0.0675 0.1022 0.4054
Loa Loa (eye worm) hypothetical protein 0.0242 0.033 0.1621
Trypanosoma cruzi cysteine protease, putative 0.0675 0.1022 0.4054
Entamoeba histolytica cysteine protease, putative 0.0675 0.1022 0.4054
Leishmania major cathepsin L-like protease 0.131 0.2036 1
Echinococcus granulosus cathepsin b 0.0242 0.033 0.0283
Trypanosoma cruzi cysteine peptidase, putative 0.131 0.2036 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.131 0.2036 1
Onchocerca volvulus Cathepsin L homolog 0.131 0.2036 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0051 0.0026 0.0128
Onchocerca volvulus 0.131 0.2036 1
Brugia malayi RNA binding protein 0.0065 0.0048 0.0237
Leishmania major cathepsin L-like protease 0.131 0.2036 1
Brugia malayi TAR-binding protein 0.0065 0.0048 0.0237
Trypanosoma cruzi cysteine proteinase, putative 0.0675 0.1022 0.4054
Entamoeba histolytica cysteine protease, putative 0.0675 0.1022 0.4054
Entamoeba histolytica cysteine protease, putative 0.0675 0.1022 0.4054
Schistosoma mansoni tar DNA-binding protein 0.0065 0.0048 0.0055
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0242 0.033 0.038
Loa Loa (eye worm) hypothetical protein 0.0877 0.1345 0.6603
Entamoeba histolytica cysteine protease, putative 0.0675 0.1022 0.4054
Echinococcus granulosus cathepsin l1 0.131 0.2036 0.1998
Toxoplasma gondii kinesin motor domain-containing protein 0.0818 0.125 0.5393
Loa Loa (eye worm) TAR-binding protein 0.0065 0.0048 0.0237
Schistosoma mansoni tar DNA-binding protein 0.0065 0.0048 0.0055
Plasmodium vivax kinesin-5 0.0818 0.125 0.5393
Brugia malayi cathepsin L precursor 0.0242 0.033 0.1621
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.131 0.2036 1
Echinococcus multilocularis cysteine protease 0.131 0.2036 0.1998
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.131 0.2036 1
Entamoeba histolytica cysteine proteinase, putative 0.0877 0.1345 0.5946
Schistosoma mansoni subfamily C1A non-peptidase homologue (C01 family) 0.0242 0.033 0.038
Brugia malayi cathepsin F-like cysteine proteinase 0.0242 0.033 0.1621
Trypanosoma cruzi cysteine peptidase, putative 0.131 0.2036 1
Echinococcus granulosus cathepsin L cysteine proteinase 0.131 0.2036 0.1998
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.131 0.2036 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.131 0.2036 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.131 0.2036 1
Echinococcus granulosus cathepsin b 0.0242 0.033 0.0283
Onchocerca volvulus Cathepsin L homolog 0.131 0.2036 1
Brugia malayi Cathepsin L-like precursor 0.0877 0.1345 0.6603
Schistosoma mansoni tar DNA-binding protein 0.0065 0.0048 0.0055
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.131 0.2036 1
Brugia malayi cathepsin L-like cysteine proteinase, identical 0.0433 0.0636 0.3121
Brugia malayi Cathepsin L-like precursor 0.131 0.2036 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.131 0.2036 1
Brugia malayi cahepsin L-like non-peptiedase homolog 0.0242 0.033 0.1621
Loa Loa (eye worm) cysteine protease 0.131 0.2036 1
Onchocerca volvulus 0.131 0.2036 1
Echinococcus granulosus cathepsin l cysteine peptidase 0.131 0.2036 0.1998
Toxoplasma gondii cathepsin CPL 0.131 0.2036 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.131 0.2036 1
Schistosoma mansoni hypothetical protein 0.5477 0.8694 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.131 0.2036 1
Echinococcus granulosus cathepsin L 0.0242 0.033 0.0283
Trypanosoma cruzi cruzipain precursor, putative 0.131 0.2036 1
Plasmodium vivax vivapain-2 0.131 0.2036 1
Trypanosoma cruzi cysteine peptidase, putative 0.0433 0.0636 0.1791
Loa Loa (eye worm) hypothetical protein 0.0242 0.033 0.1621
Loa Loa (eye worm) kinesin-like protein KLP2 0.0818 0.125 0.614
Echinococcus granulosus cathepsin L cysteine protease 0.0675 0.1022 0.0978
Entamoeba histolytica cysteine proteinase, putative 0.0675 0.1022 0.4054
Entamoeba histolytica cysteine protease, putative 0.0675 0.1022 0.4054
Echinococcus granulosus cathepsin l1 0.0877 0.1345 0.1303
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.131 0.2036 1
Echinococcus multilocularis cathepsin L cysteine protease 0.131 0.2036 0.1998
Trypanosoma cruzi cruzipain precursor, putative 0.0433 0.0636 0.1791
Echinococcus granulosus geminin 0.0175 0.0223 0.0176
Loa Loa (eye worm) hypothetical protein 0.0433 0.0636 0.3121
Loa Loa (eye worm) hypothetical protein 0.0433 0.0636 0.3121
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0232 0.0314 0.1544
Entamoeba histolytica cysteine protease, putative 0.131 0.2036 1
Loa Loa (eye worm) hypothetical protein 0.0242 0.033 0.1621
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.131 0.2036 1
Brugia malayi Cathepsin L-like precursor 0.131 0.2036 1
Schistosoma mansoni tar DNA-binding protein 0.0065 0.0048 0.0055
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0242 0.033 0.038
Schistosoma mansoni dipeptidyl-peptidase I (C01 family) 0.0242 0.033 0.038
Schistosoma mansoni cathepsin C 0.0242 0.033 0.038
Schistosoma mansoni cathepsin S (C01 family) 0.0242 0.033 0.038
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0675 0.1022 0.4054
Entamoeba histolytica cysteine proteinase, putative 0.0675 0.1022 0.4054
Brugia malayi cathepsin B-like cysteine proteinase 0.0242 0.033 0.1621
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0232 0.0314 0.0268
Brugia malayi cathepsin L-like cysteine proteinase 0.0242 0.033 0.1621
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.131 0.2036 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.131 0.2036 1
Echinococcus granulosus cysteine protease 0.0675 0.1022 0.0978
Entamoeba histolytica cysteine protease, putative 0.0675 0.1022 0.4054
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.131 0.2036 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.131 0.2036 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0242 0.033 0.038
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.0675 0.1022 0.4054
Loa Loa (eye worm) hypothetical protein 0.0051 0.0026 0.0128
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.131 0.2036 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.131 0.2036 1
Schistosoma mansoni cathepsin s 0.0433 0.0636 0.0731
Loa Loa (eye worm) fibroinase 0.131 0.2036 1

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) Antibacterial activity against Escherichia coli CCM 4517 after 24 to 48 hrs by broth microdilution method ChEMBL. 25438883
Activity (functional) Antifungal activity against Candida albicans ATCC 44859 after 24 to 48 hrs by two-fold dilution method ChEMBL. 25438883
MIC (functional) = 36 uM Antimycobacterial activity against Mycobacterium tuberculosis H37Rv CNCTC My 331/88 after 10 to 14 days by AlamarBlue assay ChEMBL. 25438883

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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