SCHEMBL6170791

SCHEMBL6170791

NC(=O)C1CCCN1Cc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1

nearest known ligand 0.72

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOB P27338 13/20 0.72
MAOA P21397 12/20 0.72
SPHK1 Q9NYA1 1/20 0.67
SCN3A Q9NY46 1/20 0.64
S1PR1 P21453 1/20 0.55
HTR2A P28223 1/20 0.55
KCNH2 Q12809 1/20 0.55
SIGMAR1 Q99720 1/20 0.55
S1PR5 Q9H228 1/20 0.55
HRH3 Q9Y5N1 1/20 0.52

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
SCHEMBL6170788 1.00 MAOB (0.72) MAOBMAOASPHK1SCN3AS1PR1
SCHEMBL6167507 0.87 MAOB (0.79) MAOBMAOASPHK1SCN3AS1PR1
SCHEMBL6167500 0.87 MAOB (0.79) MAOBMAOASPHK1SCN3AS1PR1
SCHEMBL26009688 0.84 MAOB (0.78) MAOBMAOASPHK1SCN3A
SCHEMBL6171245 0.84 MAOB (0.74) MAOBMAOASPHK1SCN3AS1PR1
SCHEMBL6168425 0.84 MAOB (1.00) MAOBMAOASPHK1SCN3A
SCHEMBL6171239 0.84 MAOB (0.74) MAOBMAOASPHK1SCN3AS1PR1
SCHEMBL6168433 0.84 MAOB (1.00) MAOBMAOASPHK1SCN3A
SCHEMBL6168080 0.83 SPHK1 (0.68) MAOBMAOASPHK1SCN3AHRH3
SCHEMBL6168088 0.83 SPHK1 (0.68) MAOBMAOASPHK1SCN3AHRH3

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