SCHEMBL13613600

SCHEMBL13613600

O=C(Nc1ccc(F)cc1)Nc1cccc2c1CC(O)CC2

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 17/20 0.66
HTT P42858 2/20 0.50
NPC1 O15118 1/20 0.50
POLB P06746 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 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
SCHEMBL13613710 0.89 TRPV1 (0.64) TRPV1
SCHEMBL4336612 0.89 TRPV1 (0.64) TRPV1
SCHEMBL13613692 0.88 TRPV1 (0.66) TRPV1NPC1RAB9A
SCHEMBL2734355 0.88 TRPV1 (0.61) TRPV1
SCHEMBL13613602 0.88 TRPV1 (0.62) TRPV1HTTNPC1RAB9A
SCHEMBL4341397 0.88 TRPV1 (0.69) TRPV1HTTNPC1RAB9ASMN1; SMN2
SCHEMBL13613697 0.88 TRPV1 (0.62) TRPV1NPC1POLBRAB9A
SCHEMBL2245782 0.87 TRPV1 (0.62) TRPV1
SCHEMBL4332079 0.87 TRPV1 (0.71) TRPV1HTTRAB9A
SCHEMBL13613690 0.85 TRPV1 (0.59) TRPV1NPC1RAB9ASMN1; SMN2

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