SCHEMBL13613706

SCHEMBL13613706

CSc1ccc(NC(=O)Nc2cccc3c2CC(O)CC3)cc1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 16/20 0.59
KDM4E B2RXH2 2/20 0.49
MAPT P10636 2/20 0.49
MEN1 O00255 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
KMT2A Q03164 1/20 0.49
NOX1 Q9Y5S8 1/20 0.43
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43
POLB P06746 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
SCHEMBL206062 0.89 TRPV1 (0.55) TRPV1KDM4EMAPTMEN1KMT2A
SCHEMBL13613697 0.87 TRPV1 (0.62) TRPV1NPC1RAB9APOLB
SCHEMBL13613710 0.86 TRPV1 (0.64) TRPV1
SCHEMBL4336612 0.86 TRPV1 (0.64) TRPV1
SCHEMBL4341397 0.85 TRPV1 (0.69) TRPV1KDM4EMAPTMEN1NPC1
SCHEMBL13613600 0.85 TRPV1 (0.66) TRPV1NPC1RAB9APOLB
SCHEMBL13613602 0.85 TRPV1 (0.62) TRPV1MAPTMEN1NPC1RAB9A
SCHEMBL13613591 0.84 TRPV1 (0.59) TRPV1MAPTMEN1NPC1RAB9A
SCHEMBL13613605 0.84 TRPV1 (0.59) TRPV1KDM4EMAPTMEN1NPC1
SCHEMBL4333924 0.84 TRPV1 (0.62) TRPV1MAPTMEN1RAB9AKMT2A

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