SCHEMBL1245064

SCHEMBL1245064

Cc1onc(-c2ccc(Br)cc2)c1NC(=O)OCCc1ccccc1F

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 7/20 0.48
SCN5A Q14524 5/20 0.48
NTRK1 P04629 2/20 0.44
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
NPSR1 Q6W5P4 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CACNA1F O60840 1/20 0.39
ABCB1 P08183 1/20 0.39
CACNA1D Q01668 1/20 0.39
CACNA1S Q13698 1/20 0.39
CACNA1C Q13936 1/20 0.39
ATM Q13315 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
SCHEMBL1247206 0.89 SCN9A (0.61) SCN9ASCN5ANTRK1MAPTNPSR1
SCHEMBL1245272 0.87 SCN9A (0.45) SCN9ASCN5ANTRK1NPC1MAPT
SCHEMBL1246243 0.85 SCN9A (0.44) SCN9ASCN5ANTRK1NPC1MAPT
SCHEMBL1246321 0.85 NTRK1 (0.45) SCN9ASCN5ANTRK1NPC1MAPT
SCHEMBL1247390 0.85 SCN9A (0.44) SCN9ASCN5ANTRK1NPC1MAPT
SCHEMBL2335998 0.84 LPAR1 (0.48) SCN9ASCN5AMAPTMEN1KMT2A
SCHEMBL1247388 0.82 SCN9A (0.42) SCN9ASCN5ANTRK1NPC1MAPT
SCHEMBL4033294 0.81 SCN9A (0.53) SCN9ASCN5ANTRK1NPC1MAPT
SCHEMBL1247558 0.81 SCN9A (0.42) SCN9ASCN5ANTRK1NPC1MAPT
SCHEMBL1245080 0.81 SCN9A (0.41) SCN9ASCN5ANTRK1NPC1MAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011017350-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-02-10 WO disclosed