SCHEMBL1246466

SCHEMBL1246466

Cc1onc(-c2ccc(-c3ccc(CC(=O)O)cc3)c(F)c2)c1NC(=O)OCCc1ccccc1Cl

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 9/20 0.50
SCN5A Q14524 6/20 0.50
NR1H4 Q96RI1 4/20 0.44
LPAR1 Q92633 2/20 0.42
LPAR2 Q9HBW0 1/20 0.42
LPAR3 Q9UBY5 1/20 0.42
DGAT1 O75907 1/20 0.42
SOAT1 P35610 1/20 0.42
NTRK1 P04629 1/20 0.38

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
SCHEMBL1245362 0.89 SCN9A (0.57) SCN9ASCN5ANR1H4LPAR1LPAR2
SCHEMBL1246468 0.89 SCN9A (0.55) SCN9ASCN5ANR1H4LPAR1LPAR2
SCHEMBL1246478 0.88 SCN9A (0.52) SCN9ASCN5ANR1H4LPAR1LPAR2
SCHEMBL1245178 0.88 SCN9A (0.55) SCN9ASCN5ANR1H4LPAR1LPAR2
SCHEMBL1247109 0.88 SCN9A (0.51) SCN9ASCN5ALPAR1LPAR2LPAR3
SCHEMBL2337558 0.87 LPAR1 (0.55) SCN9ASCN5ANR1H4LPAR1LPAR2
SCHEMBL1246481 0.86 SCN9A (0.54) SCN9ASCN5ANR1H4LPAR1LPAR2
SCHEMBL1245272 0.85 SCN9A (0.45) SCN9ASCN5ANR1H4LPAR1LPAR2
SCHEMBL1247134 0.85 SCN9A (0.56) SCN9ASCN5ANTRK1
SCHEMBL1246198 0.85 SCN9A (0.53) SCN9ASCN5ANTRK1

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
EP-2462128-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS Amira Pharmaceuticals, Inc. (US) 2012-06-13 EP claimed
WO-2011017350-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-02-10 WO claimed