SCHEMBL13613644

SCHEMBL13613644

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

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 17/20 0.49
OPRM1 P35372 1/20 0.49
MTOR P42345 1/20 0.46
ATG4B Q9Y4P1 1/20 0.41
CFD P00746 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
SCHEMBL13613627 0.89 TRPV1 (0.51) TRPV1OPRM1CFD
SCHEMBL13613606 0.88 TRPV1 (0.59) TRPV1OPRM1CFD
SCHEMBL13613608 0.87 TRPV1 (0.51) TRPV1OPRM1
SCHEMBL13613635 0.87 TRPV1 (0.54) TRPV1OPRM1
SCHEMBL13613611 0.87 TRPV1 (0.56) TRPV1OPRM1
SCHEMBL206488 0.85 TRPV1 (0.46) TRPV1
SCHEMBL13613633 0.85 ALDH1A1 (0.50) TRPV1OPRM1
SCHEMBL13613630 0.85 TRPV1 (0.61) TRPV1OPRM1
SCHEMBL13613631 0.84 TRPV1 (0.52) TRPV1OPRM1
SCHEMBL13613638 0.84 TRPV1 (0.58) 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 3 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
EP-1506167-B1 HYDROXY TETRAHYDRO-NAPHTHALENYLUREA DERIVATIVES BAYER HEALTHCARE AG (DE) 2007-08-29 EP disclosed