SCHEMBL5218155

SCHEMBL5218155

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

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 18/20 0.62
CTSD P07339 15/20 0.62
BACE2 Q9Y5Z0 5/20 0.62

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
SCHEMBL5218163 1.00 BACE1 (0.62) BACE1CTSDBACE2
SCHEMBL5218159 0.94 BACE1 (0.68) BACE1CTSDBACE2
SCHEMBL5218593 0.88 BACE1 (0.75) BACE1CTSDBACE2
SCHEMBL5218599 0.88 BACE1 (0.75) BACE1CTSDBACE2
SCHEMBL5224113 0.88 BACE1 (0.73) BACE1CTSDBACE2
SCHEMBL5224097 0.88 BACE1 (0.73) BACE1CTSDBACE2
SCHEMBL5224111 0.85 BACE1 (0.82) BACE1CTSDBACE2
SCHEMBL5218587 0.83 BACE1 (0.81) BACE1CTSDBACE2
SCHEMBL5388965 0.81 BACE1 (0.77) BACE1CTSD
SCHEMBL5222952 0.81 CTSD (0.83) 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