SCHEMBL13613700

SCHEMBL13613700

O=C(Nc1cccc(Oc2ccccc2)c1)Nc1cccc2c1CC(O)CC2

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 15/20 0.59
EPHX2 P34913 1/20 0.47
NPY5R Q15761 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
MCHR1 Q99705 1/20 0.46
USP30 Q70CQ3 1/20 0.45

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
SCHEMBL4339316 0.91 TRPV1 (0.58) TRPV1NPY5RMCHR1
SCHEMBL13613590 0.88 TRPV1 (0.60) TRPV1
SCHEMBL4336612 0.88 TRPV1 (0.64) TRPV1
SCHEMBL13613701 0.85 TRPV1 (0.65) TRPV1EPHX2
SCHEMBL4336624 0.84 TRPV1 (0.65) TRPV1
SCHEMBL13613655 0.83 TRPV1 (0.56) TRPV1NPY5RMCHR1
SCHEMBL13613656 0.83 TRPV1 (0.62) TRPV1NPY5R
SCHEMBL13613618 0.83 TRPV1 (0.58) TRPV1
SCHEMBL2734505 0.82 TRPV1 (0.56) TRPV1
SCHEMBL13613604 0.82 TRPV1 (0.63) TRPV1

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