SCHEMBL1245080

SCHEMBL1245080

Cc1onc(-c2ccc(-c3ccc(Cc4nn[nH]n4)cc3)cc2)c1NC(=O)OCCc1ccccc1F

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 5/20 0.41
SCN5A Q14524 4/20 0.41
NPC1 O15118 1/20 0.39
NTRK1 P04629 2/20 0.38
MAPT P10636 2/20 0.36
NPSR1 Q6W5P4 1/20 0.35
PTGER4 P35408 1/20 0.35
CYSLTR2 Q9NS75 1/20 0.34
CYSLTR1 Q9Y271 1/20 0.34
LMNA P02545 1/20 0.34
ATM Q13315 1/20 0.34

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
SCHEMBL2342694 0.87 LPAR1 (0.43) MAPTPTGER4CYSLTR2CYSLTR1
SCHEMBL1245272 0.83 SCN9A (0.45) SCN9ASCN5ANPC1NTRK1MAPT
SCHEMBL1245064 0.81 SCN9A (0.48) SCN9ASCN5ANPC1NTRK1MAPT
SCHEMBL9903605 0.81 NPSR1 (0.43) NTRK1MAPTNPSR1PTGER4CYSLTR2
SCHEMBL1247388 0.81 SCN9A (0.42) SCN9ASCN5ANPC1NTRK1MAPT
SCHEMBL1246321 0.78 NTRK1 (0.45) SCN9ASCN5ANPC1NTRK1MAPT
SCHEMBL1247390 0.78 SCN9A (0.44) SCN9ASCN5ANPC1NTRK1MAPT
SCHEMBL1246243 0.78 SCN9A (0.44) SCN9ASCN5ANPC1NTRK1MAPT
SCHEMBL2364482 0.78 LPAR1 (0.48) SCN9ASCN5AMAPTPTGER4
SCHEMBL1247570 0.77 SCN9A (0.46) SCN9ASCN5ANPC1NTRK1MAPT

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 claimed