SCHEMBL13627960

SCHEMBL13627960

O=C(NCCc1ccc(OCF)cc1)Nc1cccc2c1C[C@H](O)CC2

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 15/20 0.46
OPRM1 P35372 1/20 0.41
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPC1 O15118 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
FPR2 P25090 1/20 0.38

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
SCHEMBL4340575 0.88 TRPV1 (0.54) TRPV1OPRM1
SCHEMBL13613615 0.86 TRPV1 (0.57) TRPV1OPRM1
SCHEMBL4344935 0.85 TRPV1 (0.52) TRPV1LMNANPC1RAB9ASMN1; SMN2
SCHEMBL13613685 0.85 TRPV1 (0.52) TRPV1LMNANPC1RAB9ASMN1; SMN2
SCHEMBL13613682 0.85 TRPV1 (0.52) TRPV1LMNANPC1RAB9ASMN1; SMN2
SCHEMBL4336906 0.84 TRPV1 (0.54) TRPV1OPRM1
SCHEMBL5118025 0.82 TRPV1 (0.49) TRPV1OPRM1LMNA
SCHEMBL5105662 0.82 TRPV1 (0.49) TRPV1OPRM1LMNA
SCHEMBL5111558 0.82 TRPV1 (0.49) TRPV1OPRM1LMNA
SCHEMBL13613614 0.78 KDM4E (0.56) TRPV1OPRM1L3MBTL1NPC1RAB9A

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 1 patent. 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