SCHEMBL5833349

SCHEMBL5833349

CCCN(CCC)C(=O)c1cc(C)cc(C(=O)N[C@@H](CC(C)C)[C@@H](O)[C@H](O)[C@@H](C)C(=O)NCc2ccccc2)c1

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 18/20 0.60
APP P05067 3/20 0.57
BACE2 Q9Y5Z0 6/20 0.57
CTSD P07339 9/20 0.53

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
SCHEMBL8363422 0.92 BACE1 (0.59) BACE1APPBACE2CTSD
SCHEMBL5834352 0.92 BACE1 (0.62) BACE1APPBACE2CTSD
SCHEMBL8363490 0.92 BACE1 (0.60) BACE1APPBACE2CTSD
SCHEMBL5833797 0.88 BACE1 (0.73) BACE1BACE2CTSD
SCHEMBL5832973 0.87 BACE1 (0.60) BACE1APPBACE2CTSD
SCHEMBL8365020 0.87 BACE1 (0.58) BACE1APPBACE2CTSD
SCHEMBL5833876 0.86 BACE1 (0.62) BACE1BACE2CTSD
SCHEMBL8364398 0.84 BACE1 (0.59) BACE1APPBACE2CTSD
SCHEMBL8363990 0.84 BACE1 (0.60) BACE1APPBACE2CTSD
SCHEMBL8364880 0.84 BACE1 (0.60) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7053109-B2 Aminediols for the treatment of Alzheimer's disease PHARMACIA & UPJOHN COMPANY (US) 2006-05-30 US disclosed
WO-2003006453-A1 AMINEDIOLS FOR THE TREATMENT OF ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2003-01-23 WO disclosed