SCHEMBL13613631

SCHEMBL13613631

O=C(NCc1ccc(F)c(F)c1)Nc1cccc2c1CC(O)CC2

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 19/20 0.52
OPRM1 P35372 1/20 0.49
MAPT P10636 1/20 0.42

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
SCHEMBL2734512 0.92 TRPV1 (0.48) TRPV1OPRM1
SCHEMBL2734373 0.92 TRPV1 (0.48) TRPV1OPRM1
SCHEMBL4347233 0.89 TRPV1 (0.58) TRPV1OPRM1
SCHEMBL13613611 0.88 TRPV1 (0.56) TRPV1OPRM1
SCHEMBL13613612 0.88 TRPV1 (0.55) TRPV1OPRM1
SCHEMBL2734552 0.87 TRPV1 (0.49) TRPV1OPRM1
SCHEMBL13613635 0.86 TRPV1 (0.54) TRPV1OPRM1
SCHEMBL13613629 0.86 TRPV1 (0.53) TRPV1OPRM1MAPT
SCHEMBL207260 0.86 TRPV1 (0.47) TRPV1OPRM1
SCHEMBL2733690 0.86 TRPV1 (0.52) 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