SCHEMBL7009322

SCHEMBL7009322

Nc1cccnc1NCc1ccc(OCc2cccc(F)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAOB P27338 10/20 0.56
PPARA Q07869 1/20 0.53
MAOA P21397 1/20 0.51
SCN9A Q15858 1/20 0.51
PARP10 Q53GL7 1/20 0.48
NR4A2 P43354 1/20 0.46

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
SCHEMBL7004325 0.80 APP (0.47)
SCHEMBL5212805 0.79 APP (0.54)
SCHEMBL21382408 0.76 NPC1 (0.62)
SCHEMBL18012472 0.75 KDR (0.55)
SCHEMBL6285864 0.75 BACE1 (0.65)
SCHEMBL31631318 0.75 BACE1 (0.65)
SCHEMBL1680671 0.75 MAOB (0.54) MAOBPPARAMAOASCN9APARP10
SCHEMBL992837 0.74 MAOB (1.00) MAOBPARP10NR4A2
SCHEMBL29638127 0.74 MAOB (1.00) MAOBMAOAPARP10NR4A2
SCHEMBL1379497 0.74 MAOB (1.00) MAOBMAOAPARP10NR4A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1268427-A1 AMINOPYRIDINES AND THEIR USE AS ANTICONVULSANTS AND SODIUM CHANNEL BLOCKERS Cocensys, Inc. (US) 2003-01-02 EP claimed
WO-2001074779-A1 AMINOPYRIDINES AND THEIR USE AS ANTICONVULSANTS AND SODIUM CHANNEL BLOCKERS EURO-CELTIQUE S.A. (LU) 2001-10-11 WO claimed
EP-1268427-A1 AMINOPYRIDINES AND THEIR USE AS ANTICONVULSANTS AND SODIUM CHANNEL BLOCKERS Cocensys, Inc. (US) 2003-01-02 EP disclosed
WO-2001074779-A1 AMINOPYRIDINES AND THEIR USE AS ANTICONVULSANTS AND SODIUM CHANNEL BLOCKERS EURO-CELTIQUE S.A. (LU) 2001-10-11 WO disclosed