SCHEMBL13613633

SCHEMBL13613633

COc1cccc(CNC(=O)Nc2cccc3c2CC(O)CC3)c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
MEN1 O00255 1/20 0.50
LMNA P02545 1/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
ALOX15 P16050 1/20 0.50
GFER P55789 1/20 0.50
KMT2A Q03164 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TRPV1 Q8NER1 11/20 0.49
OPRM1 P35372 1/20 0.49
ROCK2 O75116 1/20 0.48
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MMP13 P45452 1/20 0.46

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
SCHEMBL2733717 0.91 TRPV1 (0.50) ALDH1A1MEN1KMT2ATRPV1OPRM1
SCHEMBL13613614 0.90 KDM4E (0.56) ALDH1A1MEN1KMT2ATRPV1OPRM1
SCHEMBL2734372 0.88 F3 (0.45) ALDH1A1MEN1LMNAGAAMAPT
SCHEMBL13613648 0.87 TRPV1 (0.52) TRPV1OPRM1ROCK2
SCHEMBL13613647 0.87 GAA (0.56) ALDH1A1MEN1LMNAGAAKMT2A
SCHEMBL2734754 0.87 KDM4E (0.53) ALDH1A1MEN1KMT2ATRPV1OPRM1
SCHEMBL13613608 0.87 TRPV1 (0.51) TRPV1OPRM1ROCK2SMN1; SMN2
SCHEMBL2734544 0.86 TRPV1 (0.48) LMNAGAATRPV1OPRM1SMN1; SMN2
SCHEMBL2734521 0.86 GAA (0.48) ALDH1A1MEN1LMNAGAAKMT2A
SCHEMBL13613640 0.85 TRPV1 (0.49) ALDH1A1GAAKMT2ATRPV1OPRM1

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