SCHEMBL13613617

SCHEMBL13613617

Cc1cc(NC(=O)Nc2cccc3c2CC(O)CC3)ccc1Cl

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 17/20 0.73
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
NFKB1 P19838 1/20 0.42
GFER P55789 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
SMN1; SMN2 Q16637 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
SCHEMBL4336888 0.90 TRPV1 (0.77) TRPV1NPC1RAB9AMEN1KMT2A
SCHEMBL13613712 0.90 TRPV1 (0.65) TRPV1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL13613714 0.87 TRPV1 (0.64) TRPV1NPC1RAB9AMEN1KMT2A
SCHEMBL4335739 0.85 TRPV1 (1.00) TRPV1
SCHEMBL4343306 0.85 TRPV1 (1.00) TRPV1
SCHEMBL4332089 0.85 TRPV1 (1.00) TRPV1
SCHEMBL13613709 0.85 TRPV1 (0.67) TRPV1NPC1RAB9AMEN1KMT2A
SCHEMBL13613604 0.84 TRPV1 (0.63) TRPV1NPC1RAB9AMEN1KMT2A
SCHEMBL4340613 0.84 TRPV1 (0.69) TRPV1NPC1RAB9AMEN1KMT2A
SCHEMBL13613697 0.84 TRPV1 (0.62) TRPV1NPC1RAB9A

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