SCHEMBL13613611

SCHEMBL13613611

O=C(NCc1cccc(F)c1)Nc1cccc2c1CC(O)CC2

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 15/20 0.56
OPRM1 P35372 1/20 0.51
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
EPHX2 P34913 1/20 0.44
LMNA P02545 1/20 0.44
NAMPT P43490 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
SCHEMBL2734540 0.90 TRPV1 (0.53) TRPV1OPRM1
SCHEMBL13613612 0.89 TRPV1 (0.55) TRPV1OPRM1KDM4EALDH1A1LMNA
SCHEMBL2734532 0.89 TRPV1 (0.52) TRPV1OPRM1KDM4EALDH1A1L3MBTL1
SCHEMBL2733685 0.89 TRPV1 (0.52) TRPV1OPRM1
SCHEMBL13613631 0.88 TRPV1 (0.52) TRPV1OPRM1
SCHEMBL2734552 0.88 TRPV1 (0.49) TRPV1OPRM1
SCHEMBL13613606 0.88 TRPV1 (0.59) TRPV1OPRM1KDM4E
SCHEMBL13613635 0.87 TRPV1 (0.54) TRPV1OPRM1EPHX2
SCHEMBL13613644 0.87 TRPV1 (0.49) TRPV1OPRM1
SCHEMBL13613608 0.87 TRPV1 (0.51) 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