SCHEMBL13613709

SCHEMBL13613709

COc1ccc(NC(=O)Nc2cccc3c2CC(O)CC3)cc1Cl

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 10/20 0.67
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
MEN1 O00255 3/20 0.51
MAPT P10636 3/20 0.51
KMT2A Q03164 3/20 0.51
MALT1 Q9UDY8 3/20 0.50
ALDH1A1 P00352 2/20 0.49
LMNA P02545 1/20 0.49
MAPK1 P28482 1/20 0.49
HTT P42858 1/20 0.49
HTR2C P28335 1/20 0.48
HTR2B P41595 1/20 0.48
KDM4E B2RXH2 1/20 0.48
GAA P10253 1/20 0.48
HPGD P15428 1/20 0.47

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
SCHEMBL13613708 0.91 TRPV1 (0.62) TRPV1NPC1RAB9AMEN1MAPT
SCHEMBL13613704 0.89 TRPV1 (0.60) TRPV1NPC1RAB9AMEN1MAPT
SCHEMBL13613707 0.88 TRPV1 (0.61) TRPV1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL4336888 0.87 TRPV1 (0.77) TRPV1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL13613617 0.85 TRPV1 (0.73) TRPV1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL13613590 0.83 TRPV1 (0.60) TRPV1NPC1RAB9AMEN1MAPT
SCHEMBL13613591 0.83 TRPV1 (0.59) TRPV1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL13613618 0.82 TRPV1 (0.58) TRPV1NPC1RAB9AMEN1MAPT
SCHEMBL4340613 0.82 TRPV1 (0.69) TRPV1NPC1RAB9AMEN1MAPT
SCHEMBL4341397 0.82 TRPV1 (0.69) TRPV1NPC1RAB9ASMN1; SMN2MEN1

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