SCHEMBL13613612

SCHEMBL13613612

O=C(NCc1ccc(F)cc1)Nc1cccc2c1CC(O)CC2

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 15/20 0.55
RAB9A P51151 3/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
OPRM1 P35372 1/20 0.49
GAA P10253 1/20 0.48
NPC1 O15118 1/20 0.47
POLB P06746 1/20 0.47
MAOB P27338 1/20 0.47
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL2734531 0.97 TRPV1 (0.53) TRPV1RAB9AMEN1KMT2AOPRM1
SCHEMBL2734540 0.90 TRPV1 (0.53) TRPV1RAB9AMEN1KMT2AOPRM1
SCHEMBL13613606 0.90 TRPV1 (0.59) TRPV1OPRM1KDM4E
SCHEMBL13613611 0.89 TRPV1 (0.56) TRPV1OPRM1KDM4EALDH1A1LMNA
SCHEMBL2734532 0.89 TRPV1 (0.52) TRPV1RAB9AMEN1KMT2AOPRM1
SCHEMBL13613629 0.89 TRPV1 (0.53) TRPV1MEN1KMT2AOPRM1ALDH1A1
SCHEMBL13613650 0.89 TRPV1 (0.51) TRPV1OPRM1KDM4E
SCHEMBL13613609 0.89 TRPV1 (0.51) TRPV1RAB9AMEN1KMT2AOPRM1
SCHEMBL13613627 0.89 TRPV1 (0.51) TRPV1OPRM1KDM4E
SCHEMBL207260 0.89 TRPV1 (0.47) TRPV1RAB9AMEN1KMT2AOPRM1

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