SCHEMBL6168978

SCHEMBL6168978

NC(=O)[C@@H]1CCCN1Cc1ccc(OCc2ccccn2)cc1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SCN3A Q9NY46 1/20 0.68
▸ SPHK1 Q9NYA1 2/20 0.64
▸ MAOB P27338 4/20 0.64
▸ MAOA P21397 3/20 0.64
▸ PARP10 Q53GL7 1/20 0.52
▸ NPC1 O15118 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ HSD11B1 P28845 1/20 0.48
▸ CD274 Q9NZQ7 3/20 0.47
▸ PDCD1 Q15116 1/20 0.47
▸ HDAC1 Q13547 3/20 0.46
▸ HDAC2 Q92769 3/20 0.46
▸ HDAC3 O15379 1/20 0.46
▸ SPHK2 Q9NRA0 1/20 0.45
▸ POLB P06746 1/20 0.44

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
SCHEMBL6168990 1.00 SCN3A (0.68) SCN3ASPHK1MAOBMAOAPARP10
SCHEMBL6168080 0.84 SPHK1 (0.68) SCN3ASPHK1MAOBMAOANPC1
SCHEMBL6168088 0.84 SPHK1 (0.68) SCN3ASPHK1MAOBMAOANPC1
SCHEMBL6169659 0.82 MAOB (0.68) SCN3ASPHK1MAOBMAOANPC1
SCHEMBL6169668 0.82 MAOB (0.68) SCN3ASPHK1MAOBMAOANPC1
SCHEMBL6167507 0.79 MAOB (0.79) SCN3ASPHK1MAOBMAOASPHK2
SCHEMBL6167500 0.79 MAOB (0.79) SCN3ASPHK1MAOBMAOASPHK2
SCHEMBL6170791 0.78 MAOB (0.72) SCN3ASPHK1MAOBMAOA
SCHEMBL6170788 0.78 MAOB (0.72) SCN3ASPHK1MAOBMAOA
SCHEMBL6168433 0.78 MAOB (1.00) SCN3ASPHK1MAOBMAOASPHK2

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
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