SCHEMBL13613637

SCHEMBL13613637

CC(C)(C)c1ccc(CNC(=O)Nc2cccc3c2CC(O)CC3)cc1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 17/20 0.53
OPRM1 P35372 1/20 0.53
TRPM8 Q7Z2W7 1/20 0.40

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
SCHEMBL4341421 0.90 TRPV1 (0.59) TRPV1OPRM1TRPM8
SCHEMBL4332036 0.90 TRPV1 (0.59) TRPV1OPRM1TRPM8
SCHEMBL4341559 0.90 TRPV1 (0.59) TRPV1OPRM1TRPM8
SCHEMBL13613609 0.88 TRPV1 (0.51) TRPV1OPRM1
SCHEMBL13613606 0.87 TRPV1 (0.59) TRPV1OPRM1
SCHEMBL13613612 0.86 TRPV1 (0.55) TRPV1OPRM1
SCHEMBL13613627 0.86 TRPV1 (0.51) TRPV1OPRM1
SCHEMBL13613650 0.86 TRPV1 (0.51) TRPV1OPRM1
SCHEMBL13613629 0.86 TRPV1 (0.53) TRPV1OPRM1
SCHEMBL13613614 0.85 KDM4E (0.56) 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