Detailed information for compound 1848672

Basic information

Technical information
  • TDR Targets ID: 1848672
  • Name: N-(1-propan-2-ylpiperidin-4-ylidene)hydroxyla mine
  • MW: 156.225 | Formula: C8H16N2O
  • H donors: 1 H acceptors: 1 LogP: 0.77 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: ON=C1CCN(CC1)C(C)C
  • InChi: 1S/C8H16N2O/c1-7(2)10-5-3-8(9-11)4-6-10/h7,11H,3-6H2,1-2H3
  • InChiKey: RMFFSKKIWBIELK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-isopropylpiperidin-4-one oxime
  • 1-isopropyl-4-piperidinone oxime
  • STK313273

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens cholinergic receptor, nicotinic, alpha 7 (neuronal) Starlite/ChEMBL No references
Lymnaea stagnalis Acetylcholine-binding protein Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) Get druggable targets OG5_130932 All targets in OG5_130932
Onchocerca volvulus Get druggable targets OG5_130932 All targets in OG5_130932
Schistosoma japonicum ko:K04809 cholinergic receptor, nicotinic, alpha 7, putative Get druggable targets OG5_130932 All targets in OG5_130932
Onchocerca volvulus Get druggable targets OG5_130932 All targets in OG5_130932
Schistosoma japonicum Neuronal acetylcholine receptor subunit alpha-7 precursor, putative Get druggable targets OG5_130932 All targets in OG5_130932
Schistosoma japonicum Neuronal acetylcholine receptor subunit alpha-7 precursor, putative Get druggable targets OG5_130932 All targets in OG5_130932
Schistosoma japonicum IPR006201,Neurotransmitter-gated ion-channel;IPR006029,Neurotransmitter-gated ion-channel transmembrane region,domain-containing Get druggable targets OG5_130932 All targets in OG5_130932
Onchocerca volvulus Get druggable targets OG5_130932 All targets in OG5_130932
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_130932 All targets in OG5_130932
Schistosoma japonicum Neuronal acetylcholine receptor subunit alpha-7 precursor, putative Get druggable targets OG5_130932 All targets in OG5_130932
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_130932 All targets in OG5_130932
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) Get druggable targets OG5_130932 All targets in OG5_130932
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_130932 All targets in OG5_130932
Brugia malayi Cation transporter family protein Get druggable targets OG5_130932 All targets in OG5_130932
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit Acetylcholine-binding protein   229 aa 267 aa 22.5 %
Onchocerca volvulus Acetylcholine receptor subunit alpha-type homolog Acetylcholine-binding protein   229 aa 231 aa 24.2 %
Brugia malayi acetylcholine receptor, alpha-type subunit unc-38 precursor Acetylcholine-binding protein   229 aa 187 aa 27.8 %
Drosophila melanogaster nicotinic Acetylcholine Receptor alpha2 Acetylcholine-binding protein   229 aa 217 aa 24.0 %
Echinococcus granulosus glycine receptor subunit alpha 1 Acetylcholine-binding protein   229 aa 207 aa 28.0 %
Loa Loa (eye worm) acetylcholine receptor alpha subunit Acetylcholine-binding protein   229 aa 253 aa 26.1 %
Schistosoma mansoni nAChR subunit Acetylcholine-binding protein   229 aa 189 aa 28.6 %
Onchocerca volvulus Acetylcholine receptor subunit alpha-type homolog Acetylcholine-binding protein   229 aa 229 aa 26.2 %
Echinococcus multilocularis glycine receptor subunit beta Acetylcholine-binding protein   229 aa 208 aa 27.9 %
Onchocerca volvulus Putative choline\/ethanolamine kinase Acetylcholine-binding protein   229 aa 207 aa 25.1 %
Onchocerca volvulus Acetylcholine-binding protein   229 aa 223 aa 25.1 %
Brugia malayi acetylcholine receptor protein, alpha-like chain, putative Acetylcholine-binding protein   229 aa 225 aa 26.7 %
Onchocerca volvulus Acetylcholine-binding protein   229 aa 228 aa 23.2 %
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein Acetylcholine-binding protein   229 aa 193 aa 23.3 %
Brugia malayi acetylcholine receptor alpha subunit precursor, putative Acetylcholine-binding protein   229 aa 221 aa 27.1 %
Echinococcus multilocularis glycine receptor subunit alpha 1 Acetylcholine-binding protein   229 aa 207 aa 28.0 %
Echinococcus granulosus nicotinic acetylcholine receptor subunit alpha 8 Acetylcholine-binding protein   229 aa 186 aa 27.4 %
Echinococcus granulosus nicotinic acetylcholine receptor subunit type Acetylcholine-binding protein   229 aa 216 aa 24.1 %
Echinococcus multilocularis glycine receptor subunit alpha 1 Acetylcholine-binding protein   229 aa 191 aa 28.8 %
Onchocerca volvulus Acetylcholine receptor subunit alpha-type homolog Acetylcholine-binding protein   229 aa 229 aa 26.2 %
Loa Loa (eye worm) hypothetical protein Acetylcholine-binding protein   229 aa 207 aa 23.2 %
Schistosoma mansoni Cys-loop ligand gated ion channel subunit Acetylcholine-binding protein   229 aa 206 aa 25.2 %
Brugia malayi acetylcholine receptor alpha subunit precursor, putative cholinergic receptor, nicotinic, alpha 7 (neuronal) 502 aa 513 aa 33.9 %
Onchocerca volvulus Acetylcholine-binding protein   229 aa 192 aa 26.6 %
Loa Loa (eye worm) hypothetical protein Acetylcholine-binding protein   229 aa 251 aa 24.7 %
Onchocerca volvulus Acetylcholine-binding protein   229 aa 231 aa 24.2 %
Echinococcus granulosus glycine receptor subunit beta Acetylcholine-binding protein   229 aa 208 aa 27.4 %
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit Acetylcholine-binding protein   229 aa 202 aa 25.2 %
Schistosoma japonicum Glycine receptor subunit alpha-2 precursor, putative Acetylcholine-binding protein   229 aa 186 aa 25.8 %
Loa Loa (eye worm) hypothetical protein Acetylcholine-binding protein   229 aa 188 aa 27.1 %
Onchocerca volvulus Putative zinc finger protein Acetylcholine-binding protein   229 aa 227 aa 24.7 %
Onchocerca volvulus Acetylcholine-binding protein   229 aa 217 aa 24.4 %
Echinococcus granulosus glycine receptor subunit alpha 1 Acetylcholine-binding protein   229 aa 191 aa 28.8 %
Echinococcus multilocularis nicotinic acetylcholine receptor subunit alpha 8 Acetylcholine-binding protein   229 aa 186 aa 26.9 %
Onchocerca volvulus Acetylcholine receptor subunit alpha-type homolog Acetylcholine-binding protein   229 aa 226 aa 26.5 %
Onchocerca volvulus Acetylcholine receptor subunit alpha-type des-2 homolog Acetylcholine-binding protein   229 aa 225 aa 20.9 %
Onchocerca volvulus Acetylcholine-binding protein   229 aa 212 aa 20.8 %
Onchocerca volvulus Acetylcholine-binding protein   229 aa 208 aa 25.0 %
Onchocerca volvulus Acetylcholine-binding protein   229 aa 189 aa 28.0 %
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit Acetylcholine-binding protein   229 aa 211 aa 25.6 %
Onchocerca volvulus Putative cys-loop ligand gated ion channel subunit Acetylcholine-binding protein   229 aa 192 aa 26.6 %
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit Acetylcholine-binding protein   229 aa 265 aa 22.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0195 0.6988 0.6988
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0195 0.6988 1
Brugia malayi nuclear receptor NHR-88 0.0195 0.6988 0.6988
Echinococcus multilocularis ecdysone induced protein 78C 0.0195 0.6988 1
Onchocerca volvulus 0.0239 1 1
Brugia malayi Nuclear hormone receptor-like 1 0.0103 0.0748 0.0748
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0195 0.6988 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0195 0.6988 0.6988
Loa Loa (eye worm) hypothetical protein 0.0195 0.6988 0.6988
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0195 0.6988 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0195 0.6988 0.6988
Loa Loa (eye worm) hypothetical protein 0.0103 0.0748 0.0748
Echinococcus granulosus ecdysone induced protein 78C 0.0195 0.6988 1
Schistosoma mansoni nuclear hormone receptor 0.0195 0.6988 0.6988
Loa Loa (eye worm) hypothetical protein 0.0195 0.6988 0.6988
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0195 0.6988 1
Brugia malayi Steroid receptor seven-up type 2 0.0195 0.6988 0.6988
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0195 0.6988 0.6988
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0195 0.6988 0.6988
Brugia malayi steroid hormone receptor 0.0195 0.6988 0.6988
Loa Loa (eye worm) hypothetical protein 0.0222 0.8821 0.8821
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0103 0.0748 0.0748
Onchocerca volvulus 0.0195 0.6988 0.6988
Loa Loa (eye worm) hypothetical protein 0.0239 1 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0195 0.6988 0.6988
Loa Loa (eye worm) hypothetical protein 0.0195 0.6988 0.6988
Loa Loa (eye worm) hypothetical protein 0.0103 0.0748 0.0748
Echinococcus multilocularis thyroid hormone receptor alpha 0.0195 0.6988 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0195 0.6988 0.6988
Onchocerca volvulus Bile acid receptor homolog 0.0195 0.6988 0.6988
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0195 0.6988 0.6988
Schistosoma mansoni coup transcription factor 0.0195 0.6988 0.6988
Loa Loa (eye worm) hypothetical protein 0.0103 0.0748 0.0748
Loa Loa (eye worm) hypothetical protein 0.0103 0.0748 0.0748
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0195 0.6988 0.6988
Loa Loa (eye worm) hypothetical protein 0.0195 0.6988 0.6988
Schistosoma mansoni thyroid hormone receptor 0.0195 0.6988 0.6988
Schistosoma mansoni retinoic acid receptor RXR 0.0195 0.6988 0.6988
Onchocerca volvulus 0.0239 1 1
Loa Loa (eye worm) hypothetical protein 0.0195 0.6988 0.6988
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0195 0.6988 0.6988
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0195 0.6988 0.6988
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0195 0.6988 0.6988
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0195 0.6988 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0195 0.6988 0.6988
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0195 0.6988 0.6988
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0103 0.0748 0.1071
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0195 0.6988 0.6988
Loa Loa (eye worm) hypothetical protein 0.0195 0.6988 0.6988
Brugia malayi hypothetical protein 0.0103 0.0748 0.0748
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0195 0.6988 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0195 0.6988 0.6988
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0195 0.6988 0.6988
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0195 0.6988 0.6988
Brugia malayi photoreceptor-specific nuclear receptor 0.0195 0.6988 0.6988
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0195 0.6988 0.6988
Brugia malayi Nuclear hormone receptor-like 1 0.0103 0.0748 0.0748
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0195 0.6988 0.6988
Brugia malayi hypothetical protein 0.0103 0.0748 0.0748
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0103 0.0748 0.1071
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0195 0.6988 0.6988
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0195 0.6988 0.6988
Loa Loa (eye worm) steroid hormone receptor 0.0195 0.6988 0.6988
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0195 0.6988 1
Loa Loa (eye worm) hypothetical protein 0.0195 0.6988 0.6988
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.0239 1 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0195 0.6988 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0195 0.6988 1
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0103 0.0748 0.0748
Echinococcus multilocularis FTZ F1 alpha 0.0195 0.6988 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0195 0.6988 1
Echinococcus granulosus FTZ F1 alpha 0.0195 0.6988 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0195 0.6988 0.6988
Schistosoma mansoni RAR-like nuclear receptor 0.0195 0.6988 0.6988
Brugia malayi nuclear receptor RXR 0.0103 0.0748 0.0748
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0195 0.6988 0.6988
Loa Loa (eye worm) hypothetical protein 0.0239 1 1
Schistosoma mansoni thyroid hormone receptor 0.0195 0.6988 0.6988
Brugia malayi Nuclear hormone receptor-like 1 0.0195 0.6988 0.6988
Loa Loa (eye worm) hypothetical protein 0.0103 0.0748 0.0748
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0103 0.0748 0.0748
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0195 0.6988 0.6988
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0195 0.6988 0.6988
Brugia malayi nuclear hormone receptor 0.0195 0.6988 0.6988
Onchocerca volvulus 0.0239 1 1
Loa Loa (eye worm) hypothetical protein 0.0195 0.6988 0.6988
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.0239 1 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.0195 0.6988 0.6988
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0195 0.6988 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0195 0.6988 1
Onchocerca volvulus Protein ultraspiracle homolog 0.0195 0.6988 0.6988
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0195 0.6988 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0195 0.6988 0.6988
Brugia malayi ecdysteroid receptor 0.0195 0.6988 0.6988

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) > 4 Displacement of [3H]epibatadine from human alpha4beta2 nAChR expressed in HEK293T cells after 1.5 hrs by scintillation counting analysis ChEMBL. No reference
Ki (binding) = 4.98 Displacement of [3H]epibatadine from Lymnaea stagnalis recombinant C-terminal His-tagged AChBP expressed in baculovirus infected SF9 cells after 1.5 hrs by scintillation counting analysis ChEMBL. No reference
Ki (binding) = 4.99 Displacement of [3H]epibatadine from human alpha7 nAChR expressed in human SH-SY5Y cells after 1.5 hrs by scintillation counting analysis ChEMBL. No reference

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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