SCHEMBL6168150

SCHEMBL6168150

COc1cc(CN2CCCC2C(N)=O)ccc1OCc1ccccc1F

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCN3A Q9NY46 2/20 0.71
KCNH2 Q12809 1/20 0.55
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
KDM4E B2RXH2 1/20 0.53
CD274 Q9NZQ7 6/20 0.53
PDCD1 Q15116 1/20 0.53
SPHK1 Q9NYA1 1/20 0.52
MAOA P21397 1/20 0.52
MAOB P27338 1/20 0.52
GAA P10253 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 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
SCHEMBL6168141 1.00 SCN3A (0.71) SCN3AKCNH2NPC1RAB9AKDM4E
SCHEMBL6167875 0.91 SCN3A (0.76) SCN3ACD274PDCD1SPHK1MAOA
SCHEMBL6167878 0.91 SCN3A (0.76) SCN3ACD274PDCD1SPHK1MAOA
SCHEMBL6169037 0.88 SCN3A (0.75) SCN3ACD274PDCD1SPHK1MAOA
SCHEMBL6169023 0.88 SCN3A (0.75) SCN3ACD274PDCD1SPHK1MAOA
SCHEMBL6171218 0.86 SCN3A (0.64) SCN3AKCNH2KDM4ECD274PDCD1
SCHEMBL6171223 0.86 SCN3A (0.64) SCN3AKCNH2KDM4ECD274PDCD1
SCHEMBL6169438 0.83 SCN3A (0.71) SCN3AKCNH2CD274PDCD1SPHK1
SCHEMBL6169432 0.83 SCN3A (0.71) SCN3AKCNH2CD274PDCD1SPHK1
SCHEMBL6690270 0.81 KDM4E (0.53) SCN3ANPC1RAB9AKDM4ECD274

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