SCHEMBL13613713

SCHEMBL13613713

CCc1cccc(NC(=O)Nc2cccc3c2CC(O)CC3)c1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 13/20 0.60
MAPT P10636 4/20 0.53
TP53 P04637 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.51
MEN1 O00255 2/20 0.47
RAB9A P51151 2/20 0.47
KMT2A Q03164 2/20 0.47
NPC1 O15118 1/20 0.46
GAA P10253 1/20 0.46
ALOX15 P16050 1/20 0.46
OPRM1 P35372 1/20 0.44
CYP1A2 P05177 1/20 0.44
PTGER3 P43115 1/20 0.44

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
SCHEMBL13613604 0.85 TRPV1 (0.63) TRPV1MAPTSMN1; SMN2MEN1RAB9A
SCHEMBL4339136 0.85 TRPV1 (0.55) TRPV1MAPTTP53SMN1; SMN2MEN1
SCHEMBL4336612 0.84 TRPV1 (0.64) TRPV1
SCHEMBL13613692 0.83 TRPV1 (0.66) TRPV1MAPTMEN1RAB9AKMT2A
SCHEMBL13613695 0.83 TRPV1 (0.63) TRPV1
SCHEMBL4340613 0.83 TRPV1 (0.69) TRPV1MAPTMEN1RAB9AKMT2A
SCHEMBL207508 0.83 TRPV1 (0.63) TRPV1
SCHEMBL13613698 0.83 TRPV1 (0.60) TRPV1MEN1KMT2APTGER3
SCHEMBL13613590 0.83 TRPV1 (0.60) TRPV1MAPTTP53MEN1RAB9A
SCHEMBL13613712 0.82 TRPV1 (0.65) TRPV1MAPTTP53SMN1; SMN2RAB9A

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