SCHEMBL5070565

SCHEMBL5070565

CCCN(CCC)C(=O)c1cc(C)cc(C(=O)N[C@H]([CH]C(C)C(=O)Nc2ccccc2)Cc2ccccc2)c1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 18/20 0.52
CTSD P07339 10/20 0.52
BACE2 Q9Y5Z0 4/20 0.50
APP P05067 1/20 0.49

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
SCHEMBL5069586 0.91 BACE1 (0.59) BACE1CTSDBACE2APP
SCHEMBL5069591 0.91 BACE1 (0.59) BACE1CTSDBACE2APP
SCHEMBL5071306 0.90 BACE1 (0.58) BACE1CTSDBACE2APP
SCHEMBL5072997 0.90 BACE1 (0.58) BACE1CTSDBACE2APP
SCHEMBL5073997 0.90 BACE1 (0.58) BACE1CTSDBACE2APP
SCHEMBL5073000 0.86 BACE1 (0.58) BACE1CTSDBACE2APP
SCHEMBL5073996 0.85 BACE1 (0.53) BACE1CTSDBACE2APP
SCHEMBL5141441 0.84 BACE1 (0.56) BACE1CTSDAPP
SCHEMBL5071380 0.83 BACE1 (0.50) BACE1CTSDBACE2APP
SCHEMBL5074008 0.82 BACE1 (0.57) BACE1CTSDBACE2APP

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