SCHEMBL13613704

SCHEMBL13613704

COc1ccc(NC(=O)Nc2cccc3c2CC(O)CC3)cc1O

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 12/20 0.60
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
LMNA P02545 1/20 0.43
CASP3 P42574 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
IDO1 P14902 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
SCHEMBL13613708 0.92 TRPV1 (0.62) TRPV1RAB9ANPC1MEN1KMT2A
SCHEMBL13613709 0.89 TRPV1 (0.67) TRPV1RAB9ANPC1MEN1KMT2A
SCHEMBL13613707 0.89 TRPV1 (0.61) TRPV1RAB9ANPC1MEN1KMT2A
SCHEMBL13613590 0.84 TRPV1 (0.60) TRPV1RAB9ANPC1MEN1KMT2A
SCHEMBL13613591 0.84 TRPV1 (0.59) TRPV1RAB9ANPC1MEN1KMT2A
SCHEMBL13613618 0.83 TRPV1 (0.58) TRPV1RAB9ANPC1MEN1KMT2A
SCHEMBL2734766 0.82 TRPV1 (0.51) TRPV1RAB9AMEN1KMT2AALDH1A1
SCHEMBL13613712 0.82 TRPV1 (0.65) TRPV1RAB9ANPC1MAPTIDO1
SCHEMBL13613710 0.81 TRPV1 (0.64) TRPV1
SCHEMBL2734505 0.81 TRPV1 (0.56) TRPV1RAB9ANPC1MEN1KMT2A

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