SCHEMBL13613618

SCHEMBL13613618

COc1cc(NC(=O)Nc2cccc3c2CC(O)CC3)cc(OC)c1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 13/20 0.58
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
HTT P42858 2/20 0.45
RAB9A P51151 2/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 3/20 0.44
MAPK1 P28482 1/20 0.44
NPC1 O15118 1/20 0.44
CASP3 P42574 1/20 0.44
SENP7 Q9BQF6 1/20 0.44

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
SCHEMBL13613590 0.92 TRPV1 (0.60) TRPV1MEN1KMT2AHTTRAB9A
SCHEMBL13613702 0.90 TRPV1 (0.61) TRPV1MEN1KMT2A
SCHEMBL13613591 0.90 TRPV1 (0.59) TRPV1MEN1KMT2ARAB9AMAPT
SCHEMBL2734505 0.86 TRPV1 (0.56) TRPV1MEN1KMT2AHTTRAB9A
SCHEMBL2734506 0.86 TRPV1 (0.55) TRPV1MEN1KMT2AHTTRAB9A
SCHEMBL13613711 0.85 TRPV1 (0.61) TRPV1RAB9ANPC1
SCHEMBL13613708 0.85 TRPV1 (0.62) TRPV1MEN1KMT2ARAB9AALDH1A1
SCHEMBL13613704 0.83 TRPV1 (0.60) TRPV1MEN1KMT2ARAB9AALDH1A1
SCHEMBL13613700 0.83 TRPV1 (0.59) TRPV1
SCHEMBL4336612 0.82 TRPV1 (0.64) 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