SCHEMBL13613667

SCHEMBL13613667

O=C(NCc1cccc2ccccc12)Nc1cccc2c1CC(O)CC2

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.52
MAPT P10636 1/20 0.52
KMT2A Q03164 1/20 0.52
TRPV1 Q8NER1 12/20 0.52
OPRM1 P35372 1/20 0.49
KDM4E B2RXH2 4/20 0.47
GSK3B P49841 1/20 0.47
P2RX7 Q99572 1/20 0.43
MMP3 P08254 1/20 0.43
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL13613613 0.86 TRPV1 (0.57) TRPV1OPRM1KDM4EALDH1A1SMN1; SMN2
SCHEMBL13613641 0.86 TRPV1 (0.53) TRPV1OPRM1
SCHEMBL13613610 0.86 TRPV1 (0.53) KMT2ATRPV1OPRM1KDM4EALDH1A1
SCHEMBL13613607 0.86 TRPV1 (0.53) MEN1KMT2ATRPV1OPRM1ALDH1A1
SCHEMBL13613651 0.86 TRPV1 (0.53) TRPV1OPRM1
SCHEMBL13613606 0.85 TRPV1 (0.59) TRPV1OPRM1KDM4EGSK3B
SCHEMBL4341558 0.85 TRPV1 (0.58) MEN1MAPTKMT2ATRPV1KDM4E
SCHEMBL13613639 0.83 TRPV1 (0.60) TRPV1OPRM1P2RX7
SCHEMBL13613632 0.83 LMNA (0.54) MEN1MAPTKMT2ATRPV1OPRM1
SCHEMBL13613650 0.81 TRPV1 (0.51) TRPV1OPRM1KDM4EGSK3B

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