SCHEMBL13613588

SCHEMBL13613588

O=C(Nc1ccccc1Cl)Nc1cccc2c1CC(O)CC2

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 18/20 0.65
TAS1R3 Q7RTX0 1/20 0.50
TAS1R1 Q7RTX1 1/20 0.50
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48

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
SCHEMBL4336612 0.86 TRPV1 (0.64) TRPV1
SCHEMBL4341397 0.85 TRPV1 (0.69) TRPV1NPC1RAB9A
SCHEMBL13613613 0.85 TRPV1 (0.57) TRPV1NPC1RAB9A
SCHEMBL13613693 0.85 TRPV1 (0.59) TRPV1NPC1RAB9A
SCHEMBL13613696 0.85 TRPV1 (0.59) TRPV1
SCHEMBL13613690 0.85 TRPV1 (0.59) TRPV1TAS1R3TAS1R1NPC1RAB9A
SCHEMBL4336888 0.84 TRPV1 (0.77) TRPV1NPC1RAB9A
SCHEMBL2734501 0.84 TRPV1 (0.64) TRPV1NPC1RAB9A
SCHEMBL4341558 0.84 TRPV1 (0.58) TRPV1
SCHEMBL4340613 0.83 TRPV1 (0.69) 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 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