SCHEMBL13613669

SCHEMBL13613669

N#CCc1ccc(NC(=O)Nc2cccc3c2CC(O)CC3)cc1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 16/20 0.56
NPC1 O15118 3/20 0.51
RAB9A P51151 2/20 0.51
THRB P10828 1/20 0.51
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
HTT P42858 1/20 0.48
KMT2A Q03164 2/20 0.43
MEN1 O00255 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
SCHEMBL13613710 0.83 TRPV1 (0.64) TRPV1
SCHEMBL4336612 0.83 TRPV1 (0.64) TRPV1
SCHEMBL4341397 0.82 TRPV1 (0.69) TRPV1NPC1RAB9ALMNAMAPT
SCHEMBL13613697 0.82 TRPV1 (0.62) TRPV1NPC1RAB9A
SCHEMBL13613602 0.82 TRPV1 (0.62) TRPV1NPC1RAB9ALMNAMAPT
SCHEMBL13613600 0.82 TRPV1 (0.66) TRPV1NPC1RAB9AHTT
SCHEMBL13613652 0.80 TRPV1 (0.53) TRPV1LMNAMAPT
SCHEMBL13613591 0.79 TRPV1 (0.59) TRPV1NPC1RAB9AMAPTKMT2A
SCHEMBL13613706 0.79 TRPV1 (0.59) TRPV1NPC1RAB9AMAPTKMT2A
SCHEMBL4332079 0.79 TRPV1 (0.71) TRPV1RAB9AMAPTHTTKMT2A

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