SCHEMBL13613705

SCHEMBL13613705

CCOc1ccc(NC(=O)Nc2cccc3c2CC(O)CC3)cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 9/20 0.56
NPC1 O15118 6/20 0.53
RAB9A P51151 6/20 0.53
MAPT P10636 5/20 0.53
KMT2A Q03164 4/20 0.53
MEN1 O00255 3/20 0.53
PKM P14618 2/20 0.52
KDM4E B2RXH2 1/20 0.52
POLB P06746 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.47
MITF O75030 1/20 0.47
PAX8 Q06710 1/20 0.47
GBA1 P04062 1/20 0.47
TP53 P04637 1/20 0.47
TAS1R3 Q7RTX0 1/20 0.46
TAS1R1 Q7RTX1 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
SCHEMBL13613591 0.88 TRPV1 (0.59) TRPV1NPC1RAB9AMAPTKMT2A
SCHEMBL13613596 0.85 TRPV1 (0.55) TRPV1NPC1RAB9AMAPTKMT2A
SCHEMBL13613655 0.85 TRPV1 (0.56) TRPV1RAB9AMAPTKMT2AMEN1
SCHEMBL4339316 0.85 TRPV1 (0.58) TRPV1MAPTKMT2AMEN1
SCHEMBL13613697 0.84 TRPV1 (0.62) TRPV1NPC1RAB9APOLB
SCHEMBL13613652 0.84 TRPV1 (0.53) TRPV1MAPTSMN1; SMN2TP53
SCHEMBL13613710 0.83 TRPV1 (0.64) TRPV1
SCHEMBL13613656 0.83 TRPV1 (0.62) TRPV1NPC1RAB9AMAPTKMT2A
SCHEMBL4332016 0.83 TRPV1 (0.64) TRPV1
SCHEMBL4336612 0.83 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