Sugi Predict

Sugi Predict / Compounds / SCHEMBL8364584

SCHEMBL8364584

SCHEMBL8364584

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

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 20/20 0.64
▸ BACE2 Q9Y5Z0 9/20 0.64
▸ CTSD P07339 3/20 0.61

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
SCHEMBL5833473 0.93 BACE1 (0.74) BACE1BACE2CTSD
SCHEMBL8361163 0.89 BACE1 (0.60) BACE1BACE2CTSD
SCHEMBL8364801 0.88 BACE1 (0.65) BACE1BACE2CTSD
SCHEMBL8364934 0.88 BACE1 (0.67) BACE1BACE2CTSD
SCHEMBL8364005 0.87 BACE1 (0.48) BACE1BACE2CTSD
SCHEMBL6604641 0.86 BACE1 (0.64) BACE1BACE2CTSD
SCHEMBL8364994 0.86 BACE1 (0.65) BACE1BACE2CTSD
SCHEMBL6352134 0.85 BACE1 (0.64) BACE1BACE2CTSD
SCHEMBL6345930 0.84 BACE1 (0.64) BACE1BACE2CTSD
SCHEMBL6342366 0.84 BACE1 (0.63) BACE1BACE2CTSD

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