SCHEMBL13613693

SCHEMBL13613693

O=C(Nc1ccccc1Br)Nc1cccc2c1CC(O)CC2

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 19/20 0.59
MEN1 O00255 1/20 0.48
NPC1 O15118 1/20 0.48
LMNA P02545 1/20 0.48
HTT P42858 1/20 0.48
RAB9A P51151 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL4336612 0.86 TRPV1 (0.64) TRPV1
SCHEMBL13613602 0.85 TRPV1 (0.62) TRPV1MEN1NPC1LMNAHTT
SCHEMBL13613641 0.85 TRPV1 (0.53) TRPV1
SCHEMBL13613696 0.85 TRPV1 (0.59) TRPV1
SCHEMBL13613588 0.85 TRPV1 (0.65) TRPV1NPC1RAB9A
SCHEMBL13613690 0.85 TRPV1 (0.59) TRPV1NPC1RAB9AKMT2A
SCHEMBL4341558 0.84 TRPV1 (0.58) TRPV1MEN1KMT2A
SCHEMBL13613695 0.83 TRPV1 (0.63) TRPV1
SCHEMBL2363868 0.82 TRPV1 (0.59) TRPV1
SCHEMBL3410678 0.82 TRPV1 (0.59) 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