SCHEMBL1245263

SCHEMBL1245263

Cc1onc(-c2ccc(-c3ccc(CC(=O)O)cc3)cc2)c1NC(=O)OCCc1ccc(F)cc1F

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 5/20 0.42
SCN5A Q14524 4/20 0.42
THRB P10828 1/20 0.40
P2RX7 Q99572 1/20 0.39
LPAR1 Q92633 2/20 0.39
NTRK1 P04629 2/20 0.39
FFAR1 O14842 4/20 0.39
LPAR2 Q9HBW0 1/20 0.38
LPAR3 Q9UBY5 1/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.37
GAA P10253 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL1247626 0.93 SCN9A (0.40) SCN9ASCN5ATHRBLPAR1NTRK1
SCHEMBL1247345 0.91 FFAR1 (0.42) SCN9ASCN5AFFAR1
SCHEMBL1246440 0.91 SCN9A (0.46) SCN9ASCN5ALPAR1FFAR1LPAR2
SCHEMBL1245272 0.89 SCN9A (0.45) SCN9ASCN5ALPAR1NTRK1LPAR2
SCHEMBL1247570 0.86 SCN9A (0.46) SCN9ASCN5ALPAR1NTRK1LPAR2
SCHEMBL2337993 0.86 LPAR1 (0.55) P2RX7LPAR1FFAR1LPAR2LPAR3
SCHEMBL1247304 0.85 SCN9A (0.50) SCN9ASCN5AP2RX7LPAR1LPAR2
SCHEMBL1247293 0.85 SCN9A (0.52) SCN9ASCN5ALPAR1NTRK1LPAR2
SCHEMBL1246325 0.84 SCN9A (0.46) SCN9ASCN5ALPAR1NTRK1LPAR2
SCHEMBL1247418 0.83 LPAR1 (0.48) SCN9ASCN5ALPAR1NTRK1LPAR2

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