SCHEMBL5224019

SCHEMBL5224019

CC(C)Oc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNC(=O)O)cc(N2CCCS2(O)O)c1

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 15/20 0.54
BACE2 Q9Y5Z0 13/20 0.54
CTSD P07339 16/20 0.54

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
SCHEMBL5220793 0.98 BACE1 (0.55) BACE1BACE2CTSD
SCHEMBL5224017 0.93 BACE1 (0.64) BACE1BACE2CTSD
SCHEMBL5220788 0.90 BACE1 (0.64) BACE1BACE2CTSD
SCHEMBL5260965 0.90 CTSD (0.65) BACE1BACE2CTSD
SCHEMBL5219119 0.90 BACE1 (0.52) BACE1BACE2CTSD
SCHEMBL5219123 0.90 BACE1 (0.52) BACE1BACE2CTSD
SCHEMBL5221428 0.88 CTSD (0.66) BACE1BACE2CTSD
SCHEMBL5220167 0.88 BACE1 (0.52) BACE1BACE2CTSD
SCHEMBL5220155 0.88 BACE1 (0.52) BACE1BACE2CTSD
SCHEMBL5216318 0.87 BACE1 (0.58) 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
EP-1567488-B1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LTD (GB) 2007-02-21 EP disclosed