SCHEMBL4569728

SCHEMBL4569728

Cc1ccc2c(c1)C(NC(=O)Nc1cccc3c1CC(O)CC3)CCO2.O=C(ON1C(=O)CCC1=O)ON1C(=O)CCC1=O

nearest known ligand 0.51

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 20/20 0.51

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
SCHEMBL429895 0.91 TRPV1 (0.59) TRPV1
SCHEMBL2359224 0.81 TRPV1 (0.67) TRPV1
SCHEMBL2358632 0.81 TRPV1 (0.67) TRPV1
SCHEMBL429451 0.81 TRPV1 (0.58) TRPV1
SCHEMBL428336 0.81 TRPV1 (0.58) TRPV1
SCHEMBL431449 0.78 TRPV1 (0.56) TRPV1
SCHEMBL15022475 0.73 TRPV1 (0.58) TRPV1
SCHEMBL431156 0.72 TRPV1 (0.52) TRPV1
SCHEMBL431770 0.72 TRPV1 (0.62) TRPV1
SCHEMBL15021180 0.72 TRPV1 (0.49) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2134678-A2 N-(5, 6, 7, 8-TETRAHYDRONAPHTHALEN-1-YL) UREA DERIVATIVES AND RELATED COMPOUNDS AS TRPV1 VANILLOID RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PAIN Abbott Laboratories (US) 2009-12-23 EP disclosed
WO-2008079683-A2 N- (5, 6, 7, 8-TETRAHYDRONAPHTHALEN-1-YL) UREA DERIVATIVES AND RELATED COMPOUNDS AS TRPV1 VANILLOID RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PAIN ABBOTT LABORATORIES (US) 2008-07-03 WO disclosed