SCHEMBL5223745

SCHEMBL5223745

O=C(O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.49
CTSD P07339 18/20 0.49
BACE2 Q9Y5Z0 1/20 0.47

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
SCHEMBL5223758 1.00 BACE1 (0.49) BACE1CTSDBACE2
SCHEMBL3357117 0.94 BACE1 (0.48) BACE1CTSDBACE2
SCHEMBL3357121 0.94 BACE1 (0.48) BACE1CTSDBACE2
SCHEMBL5224108 0.85 BACE1 (0.49) BACE1CTSDBACE2
SCHEMBL5224118 0.85 BACE1 (0.49) BACE1CTSDBACE2
SCHEMBL5741988 0.84 BACE1 (0.59) BACE1CTSDBACE2
SCHEMBL5741992 0.84 BACE1 (0.59) BACE1CTSDBACE2
SCHEMBL5930079 0.83 BACE1 (0.57) BACE1CTSDBACE2
SCHEMBL5930076 0.83 BACE1 (0.57) BACE1CTSDBACE2
SCHEMBL3350144 0.81 BACE1 (0.49) BACE1CTSD

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