SCHEMBL5218593

SCHEMBL5218593

CCCc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@@H](O)CNCc2cccc(C(F)(F)F)c2)cc(N2CC=CCCS2(O)O)c1

nearest known ligand 0.75

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.75
CTSD P07339 18/20 0.75
BACE2 Q9Y5Z0 18/20 0.75
BCHE P06276 1/20 0.52

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
SCHEMBL5218599 1.00 BACE1 (0.75) BACE1CTSDBACE2BCHE
SCHEMBL5218587 0.95 BACE1 (0.81) BACE1CTSDBACE2
SCHEMBL5225854 0.89 BACE1 (0.88) BACE1CTSDBACE2
SCHEMBL5225848 0.89 BACE1 (0.88) BACE1CTSDBACE2
SCHEMBL5218163 0.88 BACE1 (0.62) BACE1CTSDBACE2
SCHEMBL5218155 0.88 BACE1 (0.62) BACE1CTSDBACE2
SCHEMBL5219368 0.85 BACE1 (0.99) BACE1CTSDBACE2
SCHEMBL5218159 0.83 BACE1 (0.68) BACE1CTSDBACE2
SCHEMBL5220510 0.81 BACE1 (0.83) BACE1CTSDBACE2
SCHEMBL5218831 0.81 BACE1 (0.80) 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