SCHEMBL13613656

SCHEMBL13613656

O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)Nc1cccc2c1CC(O)CC2

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 13/20 0.62
MEN1 O00255 2/20 0.50
MAPT P10636 2/20 0.50
KMT2A Q03164 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
LMNA P02545 1/20 0.50
NPY5R Q15761 1/20 0.46
KDM4E B2RXH2 2/20 0.43
RAF1 P04049 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
CDK8 P49336 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
SCHEMBL4341397 0.93 TRPV1 (0.69) TRPV1MEN1MAPTKMT2ANPSR1
SCHEMBL4339316 0.91 TRPV1 (0.58) TRPV1MEN1MAPTKMT2ANPSR1
SCHEMBL13613655 0.89 TRPV1 (0.56) TRPV1MEN1MAPTKMT2ANPSR1
SCHEMBL14278360 0.88 TRPV1 (0.56) TRPV1MEN1MAPTKMT2ANPSR1
SCHEMBL13613591 0.86 TRPV1 (0.59) TRPV1MEN1MAPTKMT2ANPC1
SCHEMBL13613710 0.83 TRPV1 (0.64) TRPV1
SCHEMBL13613705 0.83 TRPV1 (0.56) TRPV1MEN1MAPTKMT2AKDM4E
SCHEMBL4332016 0.83 TRPV1 (0.64) TRPV1
SCHEMBL13613700 0.83 TRPV1 (0.59) TRPV1NPY5R
SCHEMBL4336612 0.83 TRPV1 (0.64) 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