SCHEMBL13613593

SCHEMBL13613593

CCOC(=O)c1ccccc1NC(=O)Nc1cccc2c1CC(O)CC2

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 8/20 0.52
CNR2 P34972 1/20 0.50
KDM4E B2RXH2 5/20 0.49
ALDH1A1 P00352 3/20 0.49
HPGD P15428 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
LMNA P02545 1/20 0.49
TDP1 Q9NUW8 4/20 0.48
KMT2A Q03164 1/20 0.47
HSD17B10 Q99714 2/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
TSHR P16473 1/20 0.46
MAPK1 P28482 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
SCHEMBL13613596 0.85 TRPV1 (0.55) TRPV1SMN1; SMN2TDP1KMT2ATSHR
SCHEMBL4339136 0.84 TRPV1 (0.55) TRPV1ALDH1A1SMN1; SMN2LMNAKMT2A
SCHEMBL24192057 0.83 TRPV1 (0.50) TRPV1ALDH1A1HPGDLMNAKMT2A
SCHEMBL13613696 0.82 TRPV1 (0.59) TRPV1
SCHEMBL2734043 0.81 TRPV1 (0.52) TRPV1SMN1; SMN2LMNAKMT2AHSD17B10
SCHEMBL5207738 0.81 TRPV1 (0.53) TRPV1
SCHEMBL2734522 0.80 TRPV1 (0.51) TRPV1ALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL13613652 0.80 TRPV1 (0.53) TRPV1SMN1; SMN2LMNA
SCHEMBL13613616 0.79 TRPV1 (0.56) TRPV1
SCHEMBL13613705 0.79 TRPV1 (0.56) TRPV1KDM4ESMN1; SMN2TDP1KMT2A

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