SCHEMBL5072963

SCHEMBL5072963

CCCN(CCC)C(=O)c1cccc(CN[C@@H](Cc2ccccc2)P(=O)(O)CC(C)C(=O)NC2CCCCC2)c1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.46
APP P05067 4/20 0.43
CTSD P07339 9/20 0.42
BACE2 Q9Y5Z0 9/20 0.42

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
SCHEMBL3417519 0.90 BACE1 (0.54) BACE1APPCTSDBACE2
SCHEMBL5072966 0.89 BACE1 (0.46) BACE1APPCTSDBACE2
SCHEMBL3417186 0.78 BACE1 (0.49) BACE1APPCTSDBACE2
SCHEMBL5071310 0.78 BACE1 (0.55) BACE1APPCTSDBACE2
SCHEMBL5072987 0.77 BACE1 (0.55) BACE1APPCTSDBACE2
SCHEMBL3417527 0.77 BACE1 (0.47) BACE1APPBACE2
SCHEMBL5034237 0.77 BACE1 (0.51) BACE1APPCTSDBACE2
SCHEMBL3414047 0.76 BACE1 (0.62) BACE1APPCTSDBACE2
SCHEMBL5036929 0.75 BACE1 (0.62) BACE1APPCTSDBACE2
SCHEMBL5036923 0.75 BACE1 (0.62) BACE1APPCTSDBACE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1685142-B1 PHOSPHINIC ACID DERIVATIVES, BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE HOFFMANN LA ROCHE (CH) 2008-01-09 EP disclosed