SCHEMBL13613649

SCHEMBL13613649

O=C(NCc1ccc(C(=O)O)cc1)Nc1cccc2c1CC(O)CC2

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 17/20 0.53
RXRA P19793 1/20 0.51
RXRB P28702 1/20 0.51
RXRG P48443 1/20 0.51
OPRM1 P35372 1/20 0.48
CFD P00746 1/20 0.46
KDM4E B2RXH2 1/20 0.43
GSK3B P49841 1/20 0.43

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
SCHEMBL13613606 0.91 TRPV1 (0.59) TRPV1OPRM1CFDKDM4EGSK3B
SCHEMBL13613643 0.89 TRPV1 (0.48) TRPV1OPRM1KDM4E
SCHEMBL13613627 0.88 TRPV1 (0.51) TRPV1OPRM1CFDKDM4EGSK3B
SCHEMBL13613609 0.88 TRPV1 (0.51) TRPV1OPRM1KDM4E
SCHEMBL13613612 0.88 TRPV1 (0.55) TRPV1OPRM1KDM4E
SCHEMBL13613629 0.88 TRPV1 (0.53) TRPV1OPRM1
SCHEMBL13613650 0.88 TRPV1 (0.51) TRPV1OPRM1CFDKDM4EGSK3B
SCHEMBL14278363 0.86 TRPV1 (0.51) TRPV1OPRM1
SCHEMBL4332036 0.85 TRPV1 (0.59) TRPV1OPRM1
SCHEMBL4341421 0.85 TRPV1 (0.59) TRPV1OPRM1

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