SCHEMBL6168052

SCHEMBL6168052

NC(=O)[C@@H]1CCCN1Cc1ccc(OCc2cccc(C(F)(F)F)c2)cc1Cl

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 10/20 0.70
MAOA P21397 9/20 0.70
S1PR1 P21453 4/20 0.63
S1PR5 Q9H228 4/20 0.63
PDGFRA P16234 2/20 0.63
PIM1 P11309 1/20 0.63
SPHK1 Q9NYA1 1/20 0.59
SCN3A Q9NY46 1/20 0.53
SCN9A Q15858 1/20 0.51
PRKX P51817 1/20 0.50
IKBKE Q14164 1/20 0.50
PRKD3 O94806 1/20 0.49
CDK7 P50613 1/20 0.49
JAK3 P52333 1/20 0.49
TNK2 Q07912 1/20 0.49
ALDH1A1 P00352 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL6168060 1.00 MAOB (0.70) MAOBMAOAS1PR1S1PR5PDGFRA
SCHEMBL6169219 0.89 MAOB (0.77) MAOBMAOAS1PR1S1PR5PDGFRA
SCHEMBL6169229 0.89 MAOB (0.77) MAOBMAOAS1PR1S1PR5PDGFRA
SCHEMBL21348014 0.88 MAOB (0.89) MAOBMAOASPHK1SCN3A
SCHEMBL6170997 0.88 MAOB (0.73) MAOBMAOAS1PR1S1PR5SPHK1
SCHEMBL6170993 0.88 MAOB (0.73) MAOBMAOAS1PR1S1PR5SPHK1
SCHEMBL29288198 0.83 MAOB (1.00) MAOBMAOA
SCHEMBL29288195 0.83 MAOB (1.00) MAOBMAOA
SCHEMBL7314623 0.81 ALDH1A1 (0.66) MAOBMAOASPHK1SCN3ASCN9A
SCHEMBL28107109 0.81 ALDH1A1 (0.66) MAOBMAOASPHK1SCN3ASCN9A

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
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