SCHEMBL13613714

SCHEMBL13613714

Cc1cc(NC(=O)Nc2cccc3c2CC(O)CC3)ccc1F

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 17/20 0.64
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
KMT2A Q03164 1/20 0.46
RELA Q04206 1/20 0.46

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
SCHEMBL13613712 0.90 TRPV1 (0.65) TRPV1NPC1RAB9AMAPT
SCHEMBL13613617 0.87 TRPV1 (0.73) TRPV1NPC1RAB9AMEN1MAPT
SCHEMBL14433392 0.87 TRPV1 (0.51) TRPV1NPC1RAB9AMEN1MAPT
SCHEMBL10086934 0.85 TRPV1 (0.57) TRPV1NPC1MEN1MAPTKMT2A
SCHEMBL13613707 0.85 TRPV1 (0.61) TRPV1NPC1RAB9AMEN1MAPT
SCHEMBL13613604 0.84 TRPV1 (0.63) TRPV1NPC1RAB9AMEN1MAPT
SCHEMBL13613692 0.84 TRPV1 (0.66) TRPV1NPC1RAB9AMEN1MAPT
SCHEMBL13613697 0.84 TRPV1 (0.62) TRPV1NPC1RAB9A
SCHEMBL13613600 0.84 TRPV1 (0.66) TRPV1NPC1RAB9A
SCHEMBL2734049 0.83 TRPV1 (0.60) 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