SCHEMBL5069575

SCHEMBL5069575

CCCN(CCC)C(=O)c1cccc(C(=O)N[C@H]([CH]C(C)C(=O)NCCC(C)C)Cc2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 17/20 0.50
APP P05067 4/20 0.50
BACE2 Q9Y5Z0 7/20 0.47
CTSD P07339 1/20 0.46

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
SCHEMBL5070589 0.91 BACE1 (0.55) BACE1APPBACE2CTSD
SCHEMBL5072986 0.88 BACE1 (0.48) BACE1APPBACE2CTSD
SCHEMBL5069585 0.87 BACE1 (0.47) BACE1APPBACE2CTSD
SCHEMBL5069591 0.86 BACE1 (0.59) BACE1APPBACE2CTSD
SCHEMBL5069586 0.86 BACE1 (0.59) BACE1APPBACE2CTSD
SCHEMBL5071289 0.84 BACE1 (0.49) BACE1APPBACE2CTSD
SCHEMBL5072997 0.83 BACE1 (0.58) BACE1APPBACE2CTSD
SCHEMBL5073997 0.83 BACE1 (0.58) BACE1APPBACE2CTSD
SCHEMBL5073000 0.83 BACE1 (0.58) BACE1APPBACE2CTSD
SCHEMBL5071306 0.83 BACE1 (0.58) BACE1APPBACE2CTSD

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 claimed