SCHEMBL6168433

SCHEMBL6168433

NC(=O)C1CCCN1Cc1ccc(OCc2cccc(F)c2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAOB P27338 16/20 1.00
MAOA P21397 14/20 1.00
SPHK1 Q9NYA1 2/20 0.72
SCN3A Q9NY46 1/20 0.70
SPHK2 Q9NRA0 1/20 0.61

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
SCHEMBL6168425 1.00 MAOB (1.00) MAOBMAOASPHK1SCN3ASPHK2
SCHEMBL6169200 0.97 MAOB (0.94) MAOBMAOASPHK1SCN3A
SCHEMBL6169206 0.97 MAOB (0.94) MAOBMAOASPHK1SCN3A
SCHEMBL29288238 0.94 MAOB (1.00) MAOBMAOASPHK1SCN3A
SCHEMBL29288210 0.94 MAOB (1.00) MAOBMAOASPHK1SCN3A
SCHEMBL29288213 0.94 MAOB (1.00) MAOBMAOASPHK1SCN3A
SCHEMBL6169065 0.92 MAOB (0.85) MAOBMAOASPHK1SCN3ASPHK2
SCHEMBL6169069 0.92 MAOB (0.85) MAOBMAOASPHK1SCN3ASPHK2
SCHEMBL6167500 0.88 MAOB (0.79) MAOBMAOASPHK1SCN3ASPHK2
SCHEMBL6167507 0.88 MAOB (0.79) MAOBMAOASPHK1SCN3ASPHK2

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
WO-2005040108-A1 PROLINAMIDE DERIVATIVES AS SODIUM AND/OR CALCIUM CHANNEL BLOCKERS OR SELECTIVE MAO-B INHIBITORS NEWRON PHARMACEUTICALS S.P.A. (IT) 2005-05-06 WO claimed
EP-1524265-A1 Prolinamide derivatives as sodium and/or calcium channel blockers or selective MAO-B inhibitors Newron Pharmaceuticals S.p.A. (IT) 2005-04-20 EP claimed
WO-2005040108-A1 PROLINAMIDE DERIVATIVES AS SODIUM AND/OR CALCIUM CHANNEL BLOCKERS OR SELECTIVE MAO-B INHIBITORS NEWRON PHARMACEUTICALS S.P.A. (IT) 2005-05-06 WO disclosed
EP-1524265-A1 Prolinamide derivatives as sodium and/or calcium channel blockers or selective MAO-B inhibitors Newron Pharmaceuticals S.p.A. (IT) 2005-04-20 EP disclosed