SCHEMBL8354841

SCHEMBL8354841

CCCN(CCC)C(=O)c1cc(C)cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@@H](O)CCOCCC2CCCC2)c1

nearest known ligand 0.65

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.65
BACE2 Q9Y5Z0 2/20 0.58

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
SCHEMBL14541382 0.99 BACE1 (0.64) BACE1BACE2
SCHEMBL8354148 0.92 BACE1 (0.67) BACE1BACE2
SCHEMBL4827721 0.91 BACE1 (0.63) BACE1BACE2
SCHEMBL4829598 0.90 BACE1 (0.62) BACE1BACE2
SCHEMBL14541379 0.89 BACE1 (0.65) BACE1BACE2
SCHEMBL5372954 0.86 BACE1 (0.63) BACE1BACE2
SCHEMBL5369899 0.85 BACE1 (0.64) BACE1BACE2
SCHEMBL5369535 0.85 BACE1 (0.63) BACE1BACE2
SCHEMBL8354194 0.84 BACE1 (0.65) BACE1BACE2
SCHEMBL4829707 0.84 BACE1 (0.65) BACE1BACE2

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
WO-2003043975-A1 AMINE 1,2- AND 1,3-DIOL COMPOUNDS AND THEIR USE FOR TREATMENT OF ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2003-05-30 WO disclosed