SCHEMBL13613653

SCHEMBL13613653

CN(C)c1ccc(CNC(=O)Nc2cccc3c2CC(O)CC3)cc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 15/20 0.51
OPRM1 P35372 1/20 0.51
TP53 P04637 1/20 0.44
EPHX2 P34913 1/20 0.43
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
CFD P00746 1/20 0.39
NAMPT P43490 1/20 0.39

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
SCHEMBL2734513 0.97 TRPV1 (0.49) TRPV1OPRM1TP53EPHX2HDAC1
SCHEMBL2734519 0.90 TRPV1 (0.51) TRPV1OPRM1HDAC6
SCHEMBL13613609 0.88 TRPV1 (0.51) TRPV1OPRM1TP53
SCHEMBL13613606 0.87 TRPV1 (0.59) TRPV1OPRM1CFD
SCHEMBL13613612 0.86 TRPV1 (0.55) TRPV1OPRM1
SCHEMBL13613650 0.86 TRPV1 (0.51) TRPV1OPRM1CFD
SCHEMBL13613627 0.86 TRPV1 (0.51) TRPV1OPRM1CFD
SCHEMBL13613629 0.86 TRPV1 (0.53) TRPV1OPRM1TP53
SCHEMBL13613637 0.85 TRPV1 (0.53) TRPV1OPRM1
SCHEMBL2734756 0.85 TRPV1 (0.50) TRPV1OPRM1TP53

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