SCHEMBL5223477

SCHEMBL5223477

CC(C)(C)C1CCC(NC[C@H](O)[C@H](Cc2ccccc2)N(C(=O)O)C(C)(C)C)CC1

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.44
BACE2 Q9Y5Z0 5/20 0.44
CTSD P07339 3/20 0.44
APP P05067 1/20 0.41

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
SCHEMBL5223476 1.00 BACE1 (0.44) BACE1BACE2CTSDAPP
SCHEMBL5223435 0.87 BACE1 (0.42) BACE1BACE2CTSD
SCHEMBL4693114 0.87 BACE1 (0.41) BACE1BACE2CTSD
SCHEMBL4693111 0.87 BACE1 (0.41) BACE1BACE2CTSD
SCHEMBL5220282 0.83 BACE1 (0.39) BACE1BACE2CTSD
SCHEMBL5220292 0.83 BACE1 (0.39) BACE1BACE2CTSD
SCHEMBL5219195 0.82 SIGMAR1 (0.43) BACE1
SCHEMBL5219187 0.82 SIGMAR1 (0.43) BACE1
SCHEMBL5369028 0.80 BACE1 (0.40) BACE1BACE2CTSD
SCHEMBL5223463 0.80 OPRD1 (0.41) BACE1

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