SCHEMBL5319124

SCHEMBL5319124

C#CCNC1CCc2ccc(OC(=O)N(C)O)cc21

nearest known ligand 0.84

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ACHE P22303 19/20 0.84
MAOA P21397 2/20 0.80
MAOB P27338 2/20 0.80
BCHE P06276 1/20 0.80

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
Fumaric Acid SCHEMBL3301186 0.94 ACHE (0.74) ACHEMAOAMAOBBCHE
SCHEMBL13449663 0.92 ACHE (0.98) ACHEMAOAMAOBBCHE
SCHEMBL3895985 0.92 ACHE (0.98) ACHEMAOAMAOBBCHE
SCHEMBL3895981 0.92 ACHE (0.98) ACHEMAOAMAOBBCHE
Ladostigil SCHEMBL3893996 0.89 ACHE (1.00) ACHEMAOAMAOBBCHE
Ladostigil SCHEMBL3301711 0.89 ACHE (1.00) ACHEMAOAMAOBBCHE
Ladostigil SCHEMBL678895 0.89 ACHE (1.00) ACHEMAOAMAOBBCHE
Ethyl Fumarate SCHEMBL3300402 0.87 ACHE (0.66) ACHEMAOAMAOBBCHE
SCHEMBL3299550 0.85 ACHE (0.79) ACHEMAOAMAOBBCHE
SCHEMBL3300169 0.85 ACHE (0.79) ACHEMAOAMAOBBCHE

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007100583-A2 PROPARGYLATED AMINOINDANS, PROCESSES FOR PREPARATION, AND USES THEREOF TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 2007-09-07 WO claimed
WO-2007100583-A2 PROPARGYLATED AMINOINDANS, PROCESSES FOR PREPARATION, AND USES THEREOF TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 2007-09-07 WO disclosed