SCHEMBL13613638

SCHEMBL13613638

O=C(NCc1ccc(Cl)c(Cl)c1)Nc1cccc2c1CC(O)CC2

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 17/20 0.58
OPRM1 P35372 1/20 0.47
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
MEN1 O00255 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL13613635 0.88 TRPV1 (0.54) TRPV1OPRM1
SCHEMBL13613654 0.88 TRPV1 (0.73) TRPV1OPRM1
SCHEMBL13613629 0.88 TRPV1 (0.53) TRPV1OPRM1TP53MAPTMEN1
SCHEMBL2733682 0.86 TRPV1 (0.54) TRPV1OPRM1MEN1RAB9AKMT2A
SCHEMBL13613631 0.85 TRPV1 (0.52) TRPV1OPRM1MAPT
SCHEMBL2733680 0.85 TRPV1 (0.51) TRPV1OPRM1MEN1RAB9AKMT2A
SCHEMBL13613606 0.85 TRPV1 (0.59) TRPV1OPRM1
SCHEMBL13613644 0.84 TRPV1 (0.49) TRPV1OPRM1
SCHEMBL13613611 0.84 TRPV1 (0.56) TRPV1OPRM1
SCHEMBL13613608 0.84 TRPV1 (0.51) TRPV1OPRM1RAB9A

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