SCHEMBL13613655

SCHEMBL13613655

Cc1ccc(Oc2ccc(NC(=O)Nc3cccc4c3CC(O)CC4)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 14/20 0.56
NPY5R Q15761 1/20 0.48
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
RAB9A P51151 1/20 0.44
MCHR1 Q99705 1/20 0.43
IDO1 P14902 2/20 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
SCHEMBL13613697 0.93 TRPV1 (0.62) TRPV1RAB9A
SCHEMBL4339316 0.91 TRPV1 (0.58) TRPV1NPY5RMEN1LMNAMAPT
SCHEMBL13613656 0.89 TRPV1 (0.62) TRPV1NPY5RMEN1LMNAMAPT
SCHEMBL14278360 0.88 TRPV1 (0.56) TRPV1NPY5RMEN1LMNAMAPT
SCHEMBL13613591 0.88 TRPV1 (0.59) TRPV1MEN1MAPTKMT2ARAB9A
SCHEMBL13613705 0.85 TRPV1 (0.56) TRPV1MEN1MAPTKMT2ARAB9A
SCHEMBL13613711 0.83 TRPV1 (0.61) TRPV1RAB9A
SCHEMBL13613710 0.83 TRPV1 (0.64) TRPV1
SCHEMBL4332016 0.83 TRPV1 (0.64) TRPV1
SCHEMBL13613700 0.83 TRPV1 (0.59) TRPV1NPY5RMCHR1

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