SCHEMBL13613620

SCHEMBL13613620

Cc1ccc(NC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c2c1CCC(O)C2

nearest known ligand 0.71

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 12/20 0.71
KDR P35968 6/20 0.55
BRAF P15056 3/20 0.50
CA9 Q16790 1/20 0.48
MAPT P10636 1/20 0.46

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
SCHEMBL13613619 0.88 TRPV1 (0.71) TRPV1KDRCA9MAPT
SCHEMBL4332089 0.83 TRPV1 (1.00) TRPV1KDR
SCHEMBL4343306 0.83 TRPV1 (1.00) TRPV1KDR
SCHEMBL4335739 0.83 TRPV1 (1.00) TRPV1KDR
SCHEMBL5123803 0.83 TRPV1 (0.85) TRPV1KDR
SCHEMBL5139603 0.82 TRPV1 (0.70) TRPV1KDRBRAFMAPT
SCHEMBL5118697 0.80 TRPV1 (0.76) TRPV1KDRCA9MAPT
SCHEMBL5017591 0.78 TRPV1 (0.71) TRPV1KDRBRAFCA9MAPT
SCHEMBL5118985 0.78 TRPV1 (0.70) TRPV1KDR
SCHEMBL5116242 0.77 TRPV1 (0.63) TRPV1KDRBRAF

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