SCHEMBL13613608

SCHEMBL13613608

Cc1cccc(CNC(=O)Nc2cccc3c2CC(O)CC3)c1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 14/20 0.51
OPRM1 P35372 1/20 0.51
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ROCK2 O75116 2/20 0.41
ROCK1 Q13464 1/20 0.41
FBP1 P09467 1/20 0.41

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
SCHEMBL2734523 0.90 TRPV1 (0.49) TRPV1OPRM1
SCHEMBL13613609 0.89 TRPV1 (0.51) TRPV1OPRM1NPC1RAB9ASMN1; SMN2
SCHEMBL13613606 0.88 TRPV1 (0.59) TRPV1OPRM1
SCHEMBL13613611 0.87 TRPV1 (0.56) TRPV1OPRM1
SCHEMBL13613644 0.87 TRPV1 (0.49) TRPV1OPRM1
SCHEMBL13613635 0.87 TRPV1 (0.54) TRPV1OPRM1
SCHEMBL13613633 0.87 ALDH1A1 (0.50) TRPV1OPRM1SMN1; SMN2ROCK2
SCHEMBL2734756 0.86 TRPV1 (0.50) TRPV1OPRM1NPC1RAB9ASMN1; SMN2
SCHEMBL2734516 0.86 TRPV1 (0.47) TRPV1OPRM1NPC1RAB9ASMN1; SMN2
SCHEMBL13613630 0.85 TRPV1 (0.61) TRPV1OPRM1

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
US-7612113-B2 Such as N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-(7-hydroxy-5,6,7,8-tetrahydro-1-naphthalenyl)urea; vanilloid receptor antagonists; for treatment of urge urinary incontinence, overactive bladder, chronic pain, neuropathic pain, postoperative pain, rheumatoid arthritic pain, neuralgia, neuropathies, COPD XENTION LIMITED (GB) 2009-11-03 US disclosed
US-7612113-B2 Such as N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-(7-hydroxy-5,6,7,8-tetrahydro-1-naphthalenyl)urea; vanilloid receptor antagonists; for treatment of urge urinary incontinence, overactive bladder, chronic pain, neuropathic pain, postoperative pain, rheumatoid arthritic pain, neuralgia, neuropathies, COPD XENTION LIMITED (GB) 2009-11-03 US disclosed