SCHEMBL6169432

SCHEMBL6169432

COc1cc(OCc2ccccc2F)ccc1CN1CCC[C@H]1C(N)=O

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCN3A Q9NY46 2/20 0.71
CD274 Q9NZQ7 5/20 0.59
PARP15 Q460N3 1/20 0.57
PARP10 Q53GL7 1/20 0.57
MAOA P21397 4/20 0.53
MAOB P27338 4/20 0.53
SPHK1 Q9NYA1 1/20 0.52
KCNH2 Q12809 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.50
PDCD1 Q15116 3/20 0.49
EGFR P00533 2/20 0.48

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
SCHEMBL6169438 1.00 SCN3A (0.71) SCN3ACD274PARP15PARP10MAOA
SCHEMBL6168141 0.83 SCN3A (0.71) SCN3ACD274MAOAMAOBSPHK1
SCHEMBL6168150 0.83 SCN3A (0.71) SCN3ACD274MAOAMAOBSPHK1
SCHEMBL6171218 0.80 SCN3A (0.64) SCN3ACD274MAOAMAOBSPHK1
SCHEMBL6171223 0.80 SCN3A (0.64) SCN3ACD274MAOAMAOBSPHK1
SCHEMBL31038644 0.79 SCN3A (0.69) SCN3AMAOAMAOBSPHK1SMN1; SMN2
SCHEMBL6167878 0.79 SCN3A (0.76) SCN3ACD274MAOAMAOBSPHK1
SCHEMBL6167875 0.79 SCN3A (0.76) SCN3ACD274MAOAMAOBSPHK1
Carbamic Acid SCHEMBL5493879 0.77 PARP10 (0.59) SCN3ACD274PARP15PARP10MAOB
SCHEMBL5489935 0.77 PARP10 (0.56) SCN3ACD274PARP15PARP10MAOB

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