SCHEMBL13613602

SCHEMBL13613602

O=C(Nc1ccc(Br)cc1)Nc1cccc2c1CC(O)CC2

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 16/20 0.62
MEN1 O00255 2/20 0.48
NPC1 O15118 2/20 0.48
MAPT P10636 2/20 0.48
RAB9A P51151 2/20 0.48
KMT2A Q03164 2/20 0.48
LMNA P02545 1/20 0.48
CASP3 P42574 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48
HTT P42858 1/20 0.48
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
STING1 Q86WV6 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
SCHEMBL13613710 0.89 TRPV1 (0.64) TRPV1MAOAMAOB
SCHEMBL4336612 0.89 TRPV1 (0.64) TRPV1
SCHEMBL13613695 0.88 TRPV1 (0.63) TRPV1STING1
SCHEMBL13613697 0.88 TRPV1 (0.62) TRPV1NPC1RAB9ASTING1
SCHEMBL13613600 0.88 TRPV1 (0.66) TRPV1NPC1RAB9AHTT
SCHEMBL4341397 0.88 TRPV1 (0.69) TRPV1MEN1NPC1MAPTRAB9A
SCHEMBL13613693 0.85 TRPV1 (0.59) TRPV1MEN1NPC1RAB9AKMT2A
SCHEMBL13613699 0.85 TRPV1 (0.62) TRPV1MEN1NPC1MAPTRAB9A
SCHEMBL13613706 0.85 TRPV1 (0.59) TRPV1MEN1NPC1MAPTRAB9A
SCHEMBL4332079 0.85 TRPV1 (0.71) TRPV1MEN1MAPTRAB9AKMT2A

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 3 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
EP-1506167-B1 HYDROXY TETRAHYDRO-NAPHTHALENYLUREA DERIVATIVES BAYER HEALTHCARE AG (DE) 2007-08-29 EP disclosed