Sugi Predict

Sugi Predict / Compounds / SCHEMBL5833797

SCHEMBL5833797

SCHEMBL5833797

CCCN(CCC)C(=O)c1cc(C)cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@@H](O)[C@H](O)[C@@H](C)C(=O)NCc2ccccc2)c1

nearest known ligand 0.73

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 20/20 0.73
▸ BACE2 Q9Y5Z0 11/20 0.73
▸ CTSD P07339 5/20 0.63
▸ CTSE P14091 4/20 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
SCHEMBL5834352 0.94 BACE1 (0.62) BACE1BACE2CTSD
SCHEMBL8363982 0.93 BACE1 (0.64) BACE1BACE2CTSD
SCHEMBL5833716 0.92 BACE1 (0.71) BACE1BACE2CTSDCTSE
SCHEMBL8293884 0.91 BACE1 (0.73) BACE1BACE2CTSDCTSE
SCHEMBL4889542 0.89 BACE1 (0.75) BACE1BACE2CTSDCTSE
SCHEMBL7607871 0.89 BACE1 (0.75) BACE1BACE2CTSDCTSE
SCHEMBL5834233 0.89 BACE1 (0.78) BACE1BACE2CTSD
SCHEMBL5833349 0.88 BACE1 (0.60) BACE1BACE2CTSD
SCHEMBL5354131 0.88 BACE1 (0.81) BACE1BACE2CTSDCTSE
SCHEMBL3347634 0.88 BACE1 (0.81) BACE1BACE2CTSDCTSE

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