SCHEMBL1247293

SCHEMBL1247293

Cc1onc(-c2ccc(-c3ccc(CC(=O)O)cc3)cc2)c1NC(=O)OCCc1c(F)cccc1F

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 10/20 0.52
SCN5A Q14524 7/20 0.52
LPAR1 Q92633 2/20 0.42
NPC1 O15118 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
LPAR2 Q9HBW0 1/20 0.40
LPAR3 Q9UBY5 1/20 0.40
MAPT P10636 1/20 0.39
NTRK1 P04629 2/20 0.39
ENPP2 Q13822 1/20 0.38
NR1H4 Q96RI1 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
SCHEMBL1247570 0.90 SCN9A (0.46) SCN9ASCN5ALPAR1NPC1NPSR1
SCHEMBL1245272 0.90 SCN9A (0.45) SCN9ASCN5ALPAR1NPC1NPSR1
SCHEMBL1247418 0.88 LPAR1 (0.48) SCN9ASCN5ALPAR1NPSR1LPAR2
SCHEMBL2336975 0.85 LPAR1 (0.60) SCN9ASCN5ALPAR1LPAR2LPAR3
SCHEMBL1245263 0.85 SCN9A (0.42) SCN9ASCN5ALPAR1NPC1LPAR2
SCHEMBL1247626 0.85 SCN9A (0.40) SCN9ASCN5ALPAR1NPC1NPSR1
SCHEMBL1246325 0.84 SCN9A (0.46) SCN9ASCN5ALPAR1NPSR1LPAR2
SCHEMBL1245255 0.84 LPAR1 (0.43) SCN9ASCN5ALPAR1NPSR1LPAR2
SCHEMBL1245362 0.83 SCN9A (0.57) SCN9ASCN5ALPAR1NPSR1LPAR2
SCHEMBL1247345 0.83 FFAR1 (0.42) SCN9ASCN5A

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