SCHEMBL13613692

SCHEMBL13613692

O=C(Nc1cccc(F)c1)Nc1cccc2c1CC(O)CC2

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 16/20 0.66
RAB9A P51151 2/20 0.51
NPC1 O15118 1/20 0.51
CASP3 P42574 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
MAPT P10636 2/20 0.50

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
SCHEMBL13613600 0.88 TRPV1 (0.66) TRPV1RAB9ANPC1
SCHEMBL2734355 0.88 TRPV1 (0.61) TRPV1
SCHEMBL2733668 0.88 TRPV1 (0.61) TRPV1
SCHEMBL2734524 0.87 TRPV1 (0.57) TRPV1RAB9ANPC1
SCHEMBL4336612 0.87 TRPV1 (0.64) TRPV1
SCHEMBL13613604 0.86 TRPV1 (0.63) TRPV1RAB9ANPC1CASP3SENP7
SCHEMBL4340613 0.86 TRPV1 (0.69) TRPV1RAB9ANPC1KMT2AMEN1
SCHEMBL207508 0.86 TRPV1 (0.63) TRPV1
SCHEMBL13613695 0.86 TRPV1 (0.63) TRPV1
SCHEMBL4333852 0.85 TRPV1 (0.71) TRPV1RAB9AKMT2AMEN1MAPT

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 3 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
EP-1506167-B1 HYDROXY TETRAHYDRO-NAPHTHALENYLUREA DERIVATIVES BAYER HEALTHCARE AG (DE) 2007-08-29 EP disclosed