SCHEMBL13613610

SCHEMBL13613610

O=C(NCc1ccccc1F)Nc1cccc2c1CC(O)CC2

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 16/20 0.53
OPRM1 P35372 1/20 0.52
KMT2A Q03164 1/20 0.46
PKM P14618 1/20 0.43
MAPK1 P28482 1/20 0.43
RAB9A P51151 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 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
SCHEMBL4336879 0.89 TRPV1 (0.52) TRPV1OPRM1
SCHEMBL13613607 0.87 TRPV1 (0.53) TRPV1OPRM1KMT2APKMRAB9A
SCHEMBL13613641 0.87 TRPV1 (0.53) TRPV1OPRM1
SCHEMBL13613613 0.87 TRPV1 (0.57) TRPV1OPRM1PKMMAPK1RAB9A
SCHEMBL13613651 0.87 TRPV1 (0.53) TRPV1OPRM1
SCHEMBL13613639 0.86 TRPV1 (0.60) TRPV1OPRM1
SCHEMBL13613667 0.86 MEN1 (0.52) TRPV1OPRM1KMT2AKDM4EALDH1A1
SCHEMBL13613690 0.85 TRPV1 (0.59) TRPV1KMT2ARAB9A
SCHEMBL13613632 0.84 LMNA (0.54) TRPV1OPRM1KMT2AALDH1A1LMNA
SCHEMBL13613606 0.84 TRPV1 (0.59) TRPV1OPRM1KDM4E

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