SCHEMBL1245151

SCHEMBL1245151

CCOC(=O)C(C)c1ccc(-c2ccc(-c3noc(C)c3NC(=O)OCCc3ccccc3Cl)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 9/20 0.55
SCN5A Q14524 6/20 0.55
NPSR1 Q6W5P4 1/20 0.40
NTRK1 P04629 2/20 0.39
PTGS2 P35354 1/20 0.38
MAPT P10636 2/20 0.37
GAA P10253 1/20 0.37
LPAR1 Q92633 1/20 0.37
LPAR2 Q9HBW0 1/20 0.37
LPAR3 Q9UBY5 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
SCHEMBL1247241 0.92 SCN9A (0.55) SCN9ASCN5ANPSR1NTRK1PTGS2
SCHEMBL1245118 0.92 SCN9A (0.55) SCN9ASCN5ANPSR1NTRK1PTGS2
SCHEMBL1246506 0.87 SCN9A (0.54) SCN9ASCN5ANPSR1NTRK1PTGS2
SCHEMBL2337991 0.86 LPAR1 (0.51) SCN9ASCN5AMAPTLPAR1LPAR2
SCHEMBL3710246 0.86 LPAR1 (0.51) SCN9ASCN5AMAPTLPAR1LPAR2
SCHEMBL1247566 0.84 SCN9A (0.59) SCN9ASCN5ANPSR1NTRK1PTGS2
SCHEMBL1247206 0.84 SCN9A (0.61) SCN9ASCN5ANPSR1NTRK1MAPT
SCHEMBL11896233 0.84 LPAR1 (0.53) SCN9ASCN5ALPAR1LPAR2LPAR3
SCHEMBL1245362 0.83 SCN9A (0.57) SCN9ASCN5ANPSR1NTRK1PTGS2
SCHEMBL1246243 0.82 SCN9A (0.44) SCN9ASCN5ANPSR1NTRK1PTGS2

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