SCHEMBL6169219

SCHEMBL6169219

NC(=O)[C@@H]1CCCN1Cc1ccc(OCc2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.77

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOB P27338 15/20 0.77
MAOA P21397 13/20 0.77
SPHK1 Q9NYA1 1/20 0.68
SCN3A Q9NY46 1/20 0.63
PDGFRA P16234 1/20 0.59
S1PR1 P21453 1/20 0.59
S1PR5 Q9H228 1/20 0.59
ALDH1A1 P00352 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56

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
SCHEMBL6169229 1.00 MAOB (0.77) MAOBMAOASPHK1SCN3APDGFRA
SCHEMBL6169983 0.91 MAOB (0.75) MAOBMAOASPHK1SCN3APDGFRA
SCHEMBL6169971 0.91 MAOB (0.75) MAOBMAOASPHK1SCN3APDGFRA
SCHEMBL6168060 0.89 MAOB (0.70) MAOBMAOASPHK1SCN3APDGFRA
SCHEMBL6168052 0.89 MAOB (0.70) MAOBMAOASPHK1SCN3APDGFRA
SCHEMBL7314623 0.88 ALDH1A1 (0.66) MAOBMAOASPHK1SCN3AALDH1A1
SCHEMBL28107109 0.88 ALDH1A1 (0.66) MAOBMAOASPHK1SCN3AALDH1A1
SCHEMBL6168425 0.87 MAOB (1.00) MAOBMAOASPHK1SCN3A
SCHEMBL6168433 0.87 MAOB (1.00) MAOBMAOASPHK1SCN3A
SCHEMBL6167507 0.86 MAOB (0.79) MAOBMAOASPHK1SCN3AS1PR1

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 3 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
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