SCHEMBL13613701

SCHEMBL13613701

O=C(Nc1cccc(OC(F)(F)F)c1)Nc1cccc2c1CC(O)CC2

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 12/20 0.65
EPHX2 P34913 1/20 0.49
KDR P35968 4/20 0.47
BRAF P15056 3/20 0.47

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
SCHEMBL2734052 0.94 TRPV1 (0.61) TRPV1EPHX2KDRBRAF
SCHEMBL4332016 0.90 TRPV1 (0.64) TRPV1EPHX2
SCHEMBL2734511 0.89 TRPV1 (0.60) TRPV1KDRBRAF
SCHEMBL13613590 0.86 TRPV1 (0.60) TRPV1
SCHEMBL13613700 0.85 TRPV1 (0.59) TRPV1EPHX2
SCHEMBL13613648 0.84 TRPV1 (0.52) TRPV1
SCHEMBL4333852 0.84 TRPV1 (0.71) TRPV1EPHX2KDR
SCHEMBL13613692 0.83 TRPV1 (0.66) TRPV1
SCHEMBL2733683 0.82 TRPV1 (0.49) TRPV1
SCHEMBL5119080 0.82 TRPV1 (0.48) TRPV1

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