SCHEMBL5220282

SCHEMBL5220282

CC1(C)CCC(NC[C@@H](O)[C@H](Cc2ccccc2)N(C(=O)O)C(C)(C)C)C1

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.39
CTSD P07339 5/20 0.38
BACE2 Q9Y5Z0 4/20 0.38

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
SCHEMBL5220292 1.00 BACE1 (0.39) BACE1CTSDBACE2
SCHEMBL4693111 0.83 BACE1 (0.41) BACE1CTSDBACE2
SCHEMBL5223477 0.83 BACE1 (0.44) BACE1CTSDBACE2
SCHEMBL4693114 0.83 BACE1 (0.41) BACE1CTSDBACE2
SCHEMBL5223435 0.83 BACE1 (0.42) BACE1CTSDBACE2
SCHEMBL5223476 0.83 BACE1 (0.44) BACE1CTSDBACE2
SCHEMBL5225805 0.79 DPP8 (0.34) BACE1
SCHEMBL5225796 0.79 DPP8 (0.34) BACE1
SCHEMBL5225802 0.79 DPP8 (0.34) BACE1
SCHEMBL5219187 0.79 SIGMAR1 (0.43) 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