SCHEMBL13613648

SCHEMBL13613648

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

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 12/20 0.52
OPRM1 P35372 1/20 0.51
NAMPT P43490 2/20 0.46
ROCK1 Q13464 2/20 0.46
CACNA1G O43497 1/20 0.45
CACNA1H O95180 1/20 0.45
CACNA1I Q9P0X4 1/20 0.45
MAPK14 Q16539 1/20 0.45
ROCK2 O75116 2/20 0.43
CNR1 P21554 1/20 0.43

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
SCHEMBL2733683 0.95 TRPV1 (0.49) TRPV1OPRM1NAMPTROCK1CACNA1G
SCHEMBL2734543 0.91 TRPV1 (0.49) TRPV1OPRM1ROCK1ROCK2
SCHEMBL4333843 0.90 TRPV1 (0.53) TRPV1OPRM1NAMPT
SCHEMBL4338606 0.90 TRPV1 (0.53) TRPV1OPRM1NAMPT
SCHEMBL4333848 0.90 TRPV1 (0.53) TRPV1OPRM1NAMPT
SCHEMBL2734517 0.90 TRPV1 (0.48) TRPV1OPRM1NAMPT
SCHEMBL2734364 0.88 TRPV1 (0.51) TRPV1OPRM1NAMPT
SCHEMBL13613633 0.87 ALDH1A1 (0.50) TRPV1OPRM1ROCK2
SCHEMBL5119080 0.87 TRPV1 (0.48) TRPV1OPRM1
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