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Sugi Predict / Compounds / SCHEMBL8364387

SCHEMBL8364387

SCHEMBL8364387

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

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 19/20 0.51
▸ BACE2 Q9Y5Z0 6/20 0.51
▸ CTSD P07339 4/20 0.45
▸ APP P05067 4/20 0.44

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
SCHEMBL5832973 0.91 BACE1 (0.60) BACE1BACE2CTSDAPP
SCHEMBL8362628 0.91 BACE1 (0.49) BACE1BACE2CTSDAPP
SCHEMBL8363422 0.88 BACE1 (0.59) BACE1BACE2CTSDAPP
SCHEMBL8362729 0.88 BACE1 (0.58) BACE1BACE2CTSDAPP
SCHEMBL8364934 0.87 BACE1 (0.67) BACE1BACE2CTSD
SCHEMBL8364005 0.86 BACE1 (0.48) BACE1BACE2CTSDAPP
SCHEMBL8361147 0.82 BACE1 (0.58) BACE1BACE2CTSDAPP
SCHEMBL5833876 0.79 BACE1 (0.62) BACE1BACE2CTSD
SCHEMBL8364398 0.79 BACE1 (0.59) BACE1BACE2CTSDAPP
SCHEMBL5833349 0.79 BACE1 (0.60) BACE1BACE2CTSDAPP

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-2003006453-A1 AMINEDIOLS FOR THE TREATMENT OF ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2003-01-23 — — WO disclosed