SCHEMBL6171218

SCHEMBL6171218

COc1cc(CN2CCC[C@H]2C(N)=O)cc(Br)c1OCc1ccccc1F

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN3A Q9NY46 2/20 0.64
KMT2A Q03164 5/20 0.51
MEN1 O00255 4/20 0.51
MAPT P10636 4/20 0.51
GAA P10253 4/20 0.51
ALDH1A1 P00352 3/20 0.51
ALOX12 P18054 1/20 0.51
BLM P54132 1/20 0.51
PLEC Q15149 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
CD274 Q9NZQ7 5/20 0.49
LMNA P02545 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
HTT P42858 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
SPHK1 Q9NYA1 1/20 0.47
THRB P10828 1/20 0.47
PDCD1 Q15116 4/20 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
SCHEMBL6171223 1.00 SCN3A (0.64) SCN3AKMT2AMEN1MAPTGAA
SCHEMBL6168141 0.86 SCN3A (0.71) SCN3AKMT2AMEN1GAAL3MBTL1
SCHEMBL6168150 0.86 SCN3A (0.71) SCN3AKMT2AMEN1GAAL3MBTL1
SCHEMBL6169438 0.80 SCN3A (0.71) SCN3ACD274SMN1; SMN2MAOAMAOB
SCHEMBL6169432 0.80 SCN3A (0.71) SCN3ACD274SMN1; SMN2MAOAMAOB
SCHEMBL6167875 0.80 SCN3A (0.76) SCN3ACD274MAOAMAOBSPHK1
SCHEMBL6167878 0.80 SCN3A (0.76) SCN3ACD274MAOAMAOBSPHK1
SCHEMBL6169023 0.78 SCN3A (0.75) SCN3ACD274MAOAMAOBSPHK1
SCHEMBL6169037 0.78 SCN3A (0.75) SCN3ACD274MAOAMAOBSPHK1
SCHEMBL31038644 0.74 SCN3A (0.69) SCN3AALDH1A1LMNASMN1; SMN2NPSR1

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