SCHEMBL13613702

SCHEMBL13613702

COc1cc(NC(=O)Nc2cccc3c2CC(O)CC3)cc(C(F)(F)F)c1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 17/20 0.61
EPHX2 P34913 1/20 0.48
OPRM1 P35372 1/20 0.46
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
RAF1 P04049 1/20 0.43
BRAF P15056 1/20 0.43
TRPM8 Q7Z2W7 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
SCHEMBL13613618 0.90 TRPV1 (0.58) TRPV1MEN1KMT2A
SCHEMBL13613590 0.85 TRPV1 (0.60) TRPV1MEN1KMT2A
SCHEMBL4333852 0.85 TRPV1 (0.71) TRPV1EPHX2OPRM1MEN1KMT2A
SCHEMBL13613591 0.83 TRPV1 (0.59) TRPV1MEN1KMT2A
SCHEMBL4332079 0.83 TRPV1 (0.71) TRPV1EPHX2OPRM1MEN1KMT2A
SCHEMBL13613701 0.81 TRPV1 (0.65) TRPV1EPHX2BRAF
SCHEMBL2734361 0.80 TRPV1 (0.67) TRPV1OPRM1MEN1KMT2A
SCHEMBL2734505 0.80 TRPV1 (0.56) TRPV1MEN1KMT2A
SCHEMBL208537 0.79 TRPV1 (0.66) TRPV1OPRM1TRPM8
SCHEMBL2734506 0.79 TRPV1 (0.55) TRPV1MEN1KMT2A

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