Detailed information for compound 1312194

Basic information

Technical information
  • TDR Targets ID: 1312194
  • Name: piperidin-1-yl-(4,5,6,7-tetrahydro-1,2-benzox azol-3-yl)methanone
  • MW: 234.294 | Formula: C13H18N2O2
  • H donors: 0 H acceptors: 2 LogP: 2.24 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1noc2c1CCCC2)N1CCCCC1
  • InChi: 1S/C13H18N2O2/c16-13(15-8-4-1-5-9-15)12-10-6-2-3-7-11(10)17-14-12/h1-9H2
  • InChiKey: JQNGOCXIBYPCND-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-piperidyl-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone
  • piperidino-(4,5,6,7-tetrahydroindoxazen-3-yl)methanone
  • 3-(piperidin-1-ylcarbonyl)-4,5,6,7-tetrahydro-1,2-benzisoxazole
  • MLS000087360
  • SMR000023583
  • ChemDiv3_008403
  • EU-0023726
  • IDI1_026313

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens hydroxyprostaglandin dehydrogenase 15-(NAD) Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium falciparum steroid dehydrogenase, putative hydroxyprostaglandin dehydrogenase 15-(NAD) 266 aa 216 aa 22.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis aldo-keto reductase, putative 0.1302 1 1
Trichomonas vaginalis aldo/keto reductase, putative 0.1302 1 1
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.1302 1 1
Giardia lamblia Aldose reductase 0.1302 1 0.5
Trichomonas vaginalis aldo-keto reductase, putative 0.1302 1 1
Brugia malayi RNA binding protein 0.0076 0.033 0.032
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.1302 1 1
Trypanosoma brucei aldo-keto reductase, putative 0.1302 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.1302 1 1
Entamoeba histolytica aldose reductase, putative 0.1302 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.1302 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.1302 1 1
Plasmodium falciparum aldehyde reductase, putative 0.0377 0.2702 0.5
Loa Loa (eye worm) hypothetical protein 0.1302 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.1302 1 1
Plasmodium vivax aldehyde reductase, putative 0.0377 0.2702 1
Echinococcus multilocularis aldo keto reductase 0.1302 1 1
Echinococcus multilocularis tar DNA binding protein 0.0076 0.033 0.032
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.033 0.032
Trichomonas vaginalis aldo-keto reductase, putative 0.1302 1 1
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.1302 1 1
Plasmodium falciparum aldo-keto reductase, putative 0.0377 0.2702 0.5
Echinococcus granulosus aldehyde reductase 0.0925 0.7024 0.7024
Trichomonas vaginalis aldo-keto reductase, putative 0.1302 1 1
Brugia malayi glutamate-cysteine ligase modifier subunit 0.0377 0.2702 0.2694
Echinococcus granulosus hypothetical protein 0.1302 1 1
Trichomonas vaginalis aldo/keto reductase, putative 0.1302 1 1
Brugia malayi Pre-SET motif family protein 0.0251 0.171 0.1701
Echinococcus multilocularis aldehyde reductase 0.0925 0.7024 0.7021
Echinococcus granulosus aldo keto reductase family 1, member B4 0.0377 0.2702 0.2702
Mycobacterium tuberculosis Probable oxidoreductase 0.1302 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.1302 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.1302 1 1
Echinococcus multilocularis aldo keto reductase 0.1302 1 1
Leishmania major aldehyde reductase, putative,oxidoreductase, putative 0.1302 1 1
Onchocerca volvulus 0.0377 0.2702 0.2694
Toxoplasma gondii aldo-keto reductase 0.0377 0.2702 0.2694
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.001 0.001
Toxoplasma gondii aldose reductase, putative 0.1302 1 1
Entamoeba histolytica aldose reductase, putative 0.1302 1 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.033 0.032
Echinococcus granulosus aldo keto reductase 0.1302 1 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.033 0.032
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.1302 1 1
Schistosoma mansoni pol-related 0.1302 1 1
Trichomonas vaginalis aldo/keto reductase, putative 0.1302 1 1
Loa Loa (eye worm) glutamate-cysteine ligase modifier subunit 0.0377 0.2702 0.2694
Mycobacterium leprae PROBABLE OXIDOREDUCTASE 0.1302 1 1
Onchocerca volvulus 0.1302 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0377 0.2702 0.0896
Echinococcus granulosus aldo keto reductase family 1 member B4 0.1302 1 1
Mycobacterium leprae Conserved hypothetical protein 0.0925 0.7024 0.5922
Trichomonas vaginalis aldo-keto reductase, putative 0.1302 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.1302 1 1
Echinococcus multilocularis aldo keto reductase 0.1302 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.1302 1 1
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.1302 1 1
Leishmania major prostaglandin f synthase, putative 0.1302 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.1302 1 1
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0979 0.7455 0.7453
Schistosoma mansoni tar DNA-binding protein 0.0076 0.033 0.032
Plasmodium vivax oxidoreductase, aldo/keto reductase domain containing protein 0.0377 0.2702 1
Schistosoma mansoni aldo-keto reductase 0.1302 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.1302 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.1302 1 1
Brugia malayi TAR-binding protein 0.0076 0.033 0.032
Echinococcus granulosus aldo keto reductase family 1 member B4 0.1302 1 1
Loa Loa (eye worm) oxidoreductase 0.1302 1 1
Trichomonas vaginalis alcohol dehydrogenase, putative 0.0377 0.2702 0.0896
Trypanosoma cruzi aldo/keto reductase, putative 0.1302 1 1
Onchocerca volvulus 0.1302 1 1
Onchocerca volvulus 0.1302 1 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.033 0.032
Onchocerca volvulus 0.1302 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.1302 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.1302 1 1
Loa Loa (eye worm) oxidoreductase 0.1302 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.1302 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.1302 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.1302 1 1
Echinococcus multilocularis aldo keto reductase 0.1302 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.1302 1 1
Toxoplasma gondii aldo/keto reductase family oxidoreductase 0.0377 0.2702 0.2694
Brugia malayi NADH-dependent xylose reductase 0.0377 0.2702 0.2694
Echinococcus granulosus tar DNA binding protein 0.0076 0.033 0.033
Schistosoma mansoni tar DNA-binding protein 0.0076 0.033 0.032
Trichomonas vaginalis conserved hypothetical protein 0.0377 0.2702 0.0896
Echinococcus multilocularis voltage gated potassium channel subunit 0.0377 0.2702 0.2694
Loa Loa (eye worm) TAR-binding protein 0.0076 0.033 0.032
Loa Loa (eye worm) RNA binding protein 0.0076 0.033 0.032
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.1302 1 1
Onchocerca volvulus 0.1302 1 1
Entamoeba histolytica aldose reductase, putative 0.1302 1 1
Mycobacterium ulcerans oxidoreductase 0.1302 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.1302 1 1
Trypanosoma brucei prostaglandin f synthase 0.1302 1 1
Toxoplasma gondii oxidoreductase, aldo/keto reductase family protein 0.0377 0.2702 0.2694
Schistosoma mansoni aldo-keto reductase 0.1302 1 1
Loa Loa (eye worm) oxidoreductase 0.1302 1 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.171 0.1701
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.033 0.032
Trichomonas vaginalis aldo-keto reductase, putative 0.1302 1 1
Onchocerca volvulus 0.1302 1 1
Echinococcus granulosus aldo keto reductase 0.1302 1 1
Echinococcus granulosus voltage gated potassium channel subunit 0.0377 0.2702 0.2702
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.1302 1 1
Echinococcus granulosus aldo keto reductase 0.1302 1 1
Giardia lamblia Aldose reductase 0.1302 1 0.5
Trichomonas vaginalis aldo-keto reductase, putative 0.0377 0.2702 0.0896
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.1302 1 1
Leishmania major prostaglandin f2-alpha synthase/D-arabinose dehydrogenase 0.1302 1 1
Onchocerca volvulus 0.0286 0.1984 0.1975
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.1302 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.1302 1 1
Loa Loa (eye worm) oxidoreductase 0.1302 1 1
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.1302 1 1
Loa Loa (eye worm) oxidoreductase 0.1302 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0377 0.2702 0.0896
Trichomonas vaginalis aldo-keto reductase, putative 0.1302 1 1
Leishmania major aldo-keto reductase-like protein 0.1302 1 1
Schistosoma mansoni potassium channel beta 0.0377 0.2702 0.2694
Trypanosoma cruzi aldo-keto reductase 0.1302 1 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1.122 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 2.5929 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 10 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))] ChEMBL. No reference
Potency (functional) 17.7828 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 44.6684 uM PubChem BioAssay. qHTS Assay for Inhibitors of the HIV-1 protein Vpr. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23

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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