SCHEMBL5221435

SCHEMBL5221435

CC(C)CCCC(C)NC[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.49
CTSD P07339 10/20 0.49
BACE2 Q9Y5Z0 7/20 0.49

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
SCHEMBL5221442 1.00 BACE1 (0.49) BACE1CTSDBACE2
SCHEMBL5222034 0.89 BACE1 (0.57) BACE1CTSDBACE2
SCHEMBL5222041 0.89 BACE1 (0.57) BACE1CTSDBACE2
SCHEMBL7608338 0.81 BACE1 (0.54) BACE1CTSDBACE2
SCHEMBL7608330 0.81 BACE1 (0.54) BACE1CTSDBACE2
SCHEMBL5223728 0.81 BACE1 (0.57) BACE1CTSDBACE2
SCHEMBL5223736 0.81 BACE1 (0.57) BACE1CTSDBACE2
SCHEMBL3349963 0.80 BACE1 (0.65) BACE1CTSDBACE2
SCHEMBL3349974 0.80 BACE1 (0.65) BACE1CTSDBACE2
SCHEMBL3349943 0.80 BACE1 (0.65) 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