SCHEMBL5072987

SCHEMBL5072987

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

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 16/20 0.55
APP P05067 5/20 0.55
CTSD P07339 3/20 0.47
BACE2 Q9Y5Z0 2/20 0.46
ACE P12821 1/20 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
SCHEMBL5071310 0.94 BACE1 (0.55) BACE1APPCTSDBACE2ACE
SCHEMBL5036929 0.91 BACE1 (0.62) BACE1APPCTSDBACE2
SCHEMBL5036923 0.91 BACE1 (0.62) BACE1APPCTSDBACE2
SCHEMBL5036860 0.91 BACE1 (0.54) BACE1APPCTSDBACE2
SCHEMBL5070558 0.91 BACE1 (0.49) BACE1APPCTSDBACE2
SCHEMBL3414047 0.90 BACE1 (0.62) BACE1APPCTSDBACE2
SCHEMBL5037372 0.90 BACE1 (0.57) BACE1APPCTSDBACE2
SCHEMBL5037100 0.88 BACE1 (0.52) BACE1APPCTSDBACE2
SCHEMBL5038541 0.88 BACE1 (0.52) BACE1APPCTSDBACE2
SCHEMBL5036952 0.88 BACE1 (0.60) 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