SCHEMBL13613604

SCHEMBL13613604

Cc1cccc(NC(=O)Nc2cccc3c2CC(O)CC3)c1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 14/20 0.63
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.49
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
MAPT P10636 1/20 0.47
CASP3 P42574 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
PKM P14618 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
SCHEMBL13613711 0.92 TRPV1 (0.61) TRPV1NPC1RAB9A
SCHEMBL13613697 0.88 TRPV1 (0.62) TRPV1NPC1RAB9A
SCHEMBL2734761 0.88 TRPV1 (0.58) TRPV1
SCHEMBL206358 0.88 TRPV1 (0.58) TRPV1
SCHEMBL13613712 0.87 TRPV1 (0.65) TRPV1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL4336612 0.87 TRPV1 (0.64) TRPV1
SCHEMBL4340613 0.86 TRPV1 (0.69) TRPV1NPC1RAB9AKMT2AMEN1
SCHEMBL207508 0.86 TRPV1 (0.63) TRPV1
SCHEMBL13613695 0.86 TRPV1 (0.63) TRPV1
SCHEMBL13613692 0.86 TRPV1 (0.66) TRPV1NPC1RAB9AKMT2AMEN1

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