SCHEMBL5072992

SCHEMBL5072992

[CH2]C(C[C@H](Cc1ccccc1)NC(=O)c1cccc(C(=O)N(CCC)CCC)c1)C(=O)NCCCC(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 19/20 0.49
BACE2 Q9Y5Z0 9/20 0.49
APP P05067 4/20 0.48

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
SCHEMBL5069587 0.90 BACE1 (0.47) BACE1BACE2APP
SCHEMBL5069576 0.87 BACE1 (0.51) BACE1BACE2APP
SCHEMBL5071290 0.85 BACE1 (0.49) BACE1BACE2APP
SCHEMBL5070596 0.85 BACE1 (0.57) BACE1BACE2APP
SCHEMBL5069588 0.83 BACE1 (0.59) BACE1BACE2APP
SCHEMBL5069593 0.83 BACE1 (0.59) BACE1BACE2APP
SCHEMBL5072986 0.82 BACE1 (0.48) BACE1BACE2APP
SCHEMBL5073002 0.82 BACE1 (0.58) BACE1BACE2APP
SCHEMBL3419002 0.81 BACE1 (0.50) BACE1BACE2APP
SCHEMBL5073999 0.79 BACE1 (0.53) BACE1BACE2APP

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