SCHEMBL5224310

SCHEMBL5224310

CCOc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN)cc(N2CCCS2(=O)=O)c1

nearest known ligand 0.70

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 16/20 0.70
CTSD P07339 16/20 0.70
BACE2 Q9Y5Z0 15/20 0.70

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
SCHEMBL5220511 0.97 BACE1 (0.71) BACE1CTSDBACE2
SCHEMBL5224360 0.92 CTSD (0.63) BACE1CTSDBACE2
SCHEMBL5224333 0.92 CTSD (0.63) BACE1CTSDBACE2
SCHEMBL5260967 0.90 BACE1 (0.73) BACE1CTSDBACE2
SCHEMBL5220513 0.90 CTSD (0.63) BACE1CTSDBACE2
SCHEMBL5220508 0.90 CTSD (0.63) BACE1CTSDBACE2
SCHEMBL5219107 0.90 BACE1 (0.61) BACE1CTSDBACE2
SCHEMBL5221420 0.88 BACE1 (0.73) BACE1CTSDBACE2
SCHEMBL5220161 0.88 BACE1 (0.61) BACE1CTSDBACE2
SCHEMBL5226041 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