SCHEMBL13613699

SCHEMBL13613699

CC(C)(C)c1ccc(NC(=O)Nc2cccc3c2CC(O)CC3)cc1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 14/20 0.62
LMNA P02545 1/20 0.48
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.46
PKM P14618 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
EPHX2 P34913 2/20 0.45
EPHX1 P07099 1/20 0.45
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
XBP1 P17861 1/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
P2RY1 P47900 1/20 0.44
NR1H4 Q96RI1 1/20 0.44
OPRM1 P35372 1/20 0.44

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
SCHEMBL4332079 0.89 TRPV1 (0.71) TRPV1MAPTEPHX2MEN1HTT
SCHEMBL13613697 0.87 TRPV1 (0.62) TRPV1NPC1RAB9A
SCHEMBL13613710 0.86 TRPV1 (0.64) TRPV1
SCHEMBL4336612 0.86 TRPV1 (0.64) TRPV1
SCHEMBL13613637 0.85 TRPV1 (0.53) TRPV1OPRM1
SCHEMBL13613600 0.85 TRPV1 (0.66) TRPV1NPC1HTTRAB9ASMN1; SMN2
SCHEMBL4341397 0.85 TRPV1 (0.69) TRPV1LMNAMAPTKDM4ENPSR1
SCHEMBL13613602 0.85 TRPV1 (0.62) TRPV1LMNAMAPTMEN1NPC1
SCHEMBL13613591 0.84 TRPV1 (0.59) TRPV1MAPTPKMMEN1NPC1
SCHEMBL4333924 0.84 TRPV1 (0.62) TRPV1LMNAMAPTEPHX2EPHX1

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