SCHEMBL3465737

SCHEMBL3465737

CN(c1ccc(C(CCc2ccc(C(C)(C)C)cc2SC2CCCCC2)CNC(=O)c2ccccc2O)cc1F)S(C)(=O)=O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 19/20 0.47
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA3 P07451 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA13 Q8N1Q1 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CA5B Q9Y2D0 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3465559 0.95 TRPV1 (0.47) TRPV1
SCHEMBL3467245 0.83 TRPV1 (0.47) TRPV1
SCHEMBL3465734 0.82 ESRRG (0.48) TRPV1
SCHEMBL3465736 0.78 TRPV1 (0.75) TRPV1
SCHEMBL3465744 0.74 ESRRG (0.47) TRPV1
SCHEMBL2527167 0.72 TRPV1 (0.61) TRPV1
SCHEMBL3465556 0.72 TRPV1 (0.75) TRPV1
SCHEMBL2524768 0.70 TRPV1 (0.45) TRPV1
SCHEMBL2531659 0.70 TRPV1 (0.48) TRPV1
SCHEMBL2526774 0.69 TRPV1 (0.62) TRPV1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2146959-A1 VANILLOID RECEPTOR LIGANDS AND THE USE THEREOF FOR THE PRODUCTION OF PHARMACEUTICALS Grünenthal GmbH (DE) 2010-01-27 EP claimed
WO-2008125296-A1 VANILLOID RECEPTOR LIGANDS AND THE USE THEREOF FOR THE PRODUCTION OF PHARMACEUTICALS Grünenthal GmbH (DE) 2008-10-23 WO claimed
EP-2146959-B1 VANILLOID RECEPTOR LIGANDS AND THE USE THEREOF FOR THE PRODUCTION OF PHARMACEUTICALS GRUENENTHAL GMBH (DE) 2013-06-19 EP disclosed
EP-2146959-A1 VANILLOID RECEPTOR LIGANDS AND THE USE THEREOF FOR THE PRODUCTION OF PHARMACEUTICALS Grünenthal GmbH (DE) 2010-01-27 EP disclosed
WO-2008125296-A1 VANILLOID RECEPTOR LIGANDS AND THE USE THEREOF FOR THE PRODUCTION OF PHARMACEUTICALS Grünenthal GmbH (DE) 2008-10-23 WO disclosed