SCHEMBL6168080

SCHEMBL6168080

NC(=O)[C@@H]1CCCN1Cc1ccc(OCc2ccncc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 2/20 0.68
MAOB P27338 8/20 0.67
MAOA P21397 7/20 0.67
SCN3A Q9NY46 1/20 0.66
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
HRH3 Q9Y5N1 1/20 0.48
HDAC1 Q13547 3/20 0.48
HDAC2 Q92769 3/20 0.48
HDAC3 O15379 1/20 0.48
SPHK2 Q9NRA0 1/20 0.47

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
SCHEMBL6168088 1.00 SPHK1 (0.68) SPHK1MAOBMAOASCN3ANPC1
SCHEMBL6169659 0.87 MAOB (0.68) SPHK1MAOBMAOASCN3ANPC1
SCHEMBL6169668 0.87 MAOB (0.68) SPHK1MAOBMAOASCN3ANPC1
SCHEMBL6168978 0.84 SCN3A (0.68) SPHK1MAOBMAOASCN3ANPC1
SCHEMBL6168990 0.84 SCN3A (0.68) SPHK1MAOBMAOASCN3ANPC1
SCHEMBL6170791 0.83 MAOB (0.72) SPHK1MAOBMAOASCN3AHRH3
SCHEMBL6170788 0.83 MAOB (0.72) SPHK1MAOBMAOASCN3AHRH3
SCHEMBL6167500 0.81 MAOB (0.79) SPHK1MAOBMAOASCN3ASPHK2
SCHEMBL6167507 0.81 MAOB (0.79) SPHK1MAOBMAOASCN3ASPHK2
SCHEMBL29288217 0.81 MAOB (0.69) SPHK1MAOBMAOASCN3ANPC1

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