SCHEMBL5221420

SCHEMBL5221420

CCOc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNC(=O)O)cc(N2CCCCS2(=O)=O)c1

nearest known ligand 0.73

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 16/20 0.73
CTSD P07339 16/20 0.73
BACE2 Q9Y5Z0 15/20 0.73

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
SCHEMBL5260967 0.98 BACE1 (0.73) BACE1CTSDBACE2
SCHEMBL5221428 0.93 CTSD (0.66) BACE1CTSDBACE2
SCHEMBL5220788 0.91 BACE1 (0.64) BACE1CTSDBACE2
SCHEMBL5220511 0.90 BACE1 (0.71) BACE1CTSDBACE2
SCHEMBL5260965 0.90 CTSD (0.65) BACE1CTSDBACE2
SCHEMBL5224017 0.88 BACE1 (0.64) BACE1CTSDBACE2
SCHEMBL5224310 0.88 BACE1 (0.70) BACE1CTSDBACE2
SCHEMBL5219911 0.87 BACE1 (0.79) BACE1CTSDBACE2
SCHEMBL5217110 0.87 BACE1 (0.78) BACE1CTSDBACE2
SCHEMBL5220230 0.87 BACE1 (0.78) BACE1CTSDBACE2

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
EP-1567488-B1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LTD (GB) 2007-02-21 EP disclosed