SCHEMBL13613698

SCHEMBL13613698

CC(C)c1cccc(NC(=O)Nc2cccc3c2CC(O)CC3)c1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 13/20 0.60
CA2 P00918 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
RXFP1 Q9HBX9 1/20 0.44
PTGER3 P43115 1/20 0.43
IDH2 P48735 1/20 0.40

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
SCHEMBL4333924 0.89 TRPV1 (0.62) TRPV1CA2MEN1KMT2A
SCHEMBL13613604 0.85 TRPV1 (0.63) TRPV1MEN1KMT2A
SCHEMBL4336612 0.84 TRPV1 (0.64) TRPV1
SCHEMBL4340613 0.83 TRPV1 (0.69) TRPV1MEN1KMT2A
SCHEMBL13613695 0.83 TRPV1 (0.63) TRPV1
SCHEMBL207508 0.83 TRPV1 (0.63) TRPV1
SCHEMBL13613692 0.83 TRPV1 (0.66) TRPV1MEN1KMT2A
SCHEMBL13613713 0.83 TRPV1 (0.60) TRPV1MEN1KMT2APTGER3
SCHEMBL13613590 0.83 TRPV1 (0.60) TRPV1MEN1KMT2A
SCHEMBL4336624 0.82 TRPV1 (0.65) 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