SCHEMBL1246952

SCHEMBL1246952

Cc1onc(-c2ccc(-c3cncc(CC(=O)O)c3)cc2)c1NC(=O)OCCc1ccccc1Cl

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 9/20 0.52
SCN5A Q14524 6/20 0.52
LPAR1 Q92633 2/20 0.44
LPAR2 Q9HBW0 1/20 0.44
LPAR3 Q9UBY5 1/20 0.44
NPSR1 Q6W5P4 1/20 0.41
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
NTRK1 P04629 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
PTGS2 P35354 1/20 0.38
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
SCN2A Q99250 1/20 0.36
SCN10A Q9Y5Y9 1/20 0.36

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 0.91 SCN9A (0.57) SCN9ASCN5ALPAR1LPAR2LPAR3
SCHEMBL1246308 0.91 SCN9A (0.55) SCN9ASCN5ALPAR1LPAR2LPAR3
SCHEMBL1245178 0.88 SCN9A (0.55) SCN9ASCN5ALPAR1LPAR2LPAR3
SCHEMBL1246468 0.87 SCN9A (0.55) SCN9ASCN5ALPAR1LPAR2LPAR3
SCHEMBL1246478 0.87 SCN9A (0.52) SCN9ASCN5ALPAR1LPAR2LPAR3
SCHEMBL3707600 0.87 LPAR1 (0.60) SCN9ASCN5ALPAR1LPAR2LPAR3
SCHEMBL1246481 0.86 SCN9A (0.54) SCN9ASCN5ALPAR1LPAR2LPAR3
SCHEMBL1246348 0.86 SCN9A (0.54) SCN9ASCN5ALPAR1LPAR2LPAR3
SCHEMBL1247750 0.86 SCN9A (0.51) SCN9ASCN5ALPAR1LPAR2LPAR3
SCHEMBL1245296 0.85 SCN9A (0.55) SCN9ASCN5ALPAR1LPAR2LPAR3

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