SCHEMBL5217688

SCHEMBL5217688

CC(C)Oc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@@H](O)CNCc2cccc(Br)c2)cc(N2CCCC2=O)c1

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CTSD P07339 20/20 0.68
BACE1 P56817 20/20 0.68
BACE2 Q9Y5Z0 19/20 0.68

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
SCHEMBL5217682 1.00 CTSD (0.68) CTSDBACE1BACE2
SCHEMBL5221868 0.95 CTSD (0.67) CTSDBACE1BACE2
SCHEMBL5221859 0.95 CTSD (0.67) CTSDBACE1BACE2
SCHEMBL5223170 0.93 CTSD (0.75) CTSDBACE1BACE2
SCHEMBL5223179 0.93 CTSD (0.75) CTSDBACE1BACE2
SCHEMBL5222833 0.92 CTSD (0.69) CTSDBACE1BACE2
SCHEMBL5220447 0.92 CTSD (0.69) CTSDBACE1BACE2
SCHEMBL5219897 0.91 CTSD (0.80) CTSDBACE1BACE2
SCHEMBL5223455 0.91 CTSD (0.77) CTSDBACE1BACE2
SCHEMBL5219881 0.91 CTSD (0.80) CTSDBACE1BACE2

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