SCHEMBL5221252

SCHEMBL5221252

C[C@H](NC[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(NS(C)(=O)=O)cc(N2CCCC2=O)c1)C(=O)NC1CCCCC1

nearest known ligand 0.85

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CTSD P07339 20/20 0.85
BACE1 P56817 20/20 0.85
BACE2 Q9Y5Z0 19/20 0.85

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
SCHEMBL5220317 1.00 CTSD (0.85) CTSDBACE1BACE2
SCHEMBL5222911 0.93 CTSD (0.86) CTSDBACE1BACE2
SCHEMBL5222918 0.93 CTSD (0.86) CTSDBACE1BACE2
SCHEMBL5218307 0.92 BACE1 (1.00) CTSDBACE1BACE2
SCHEMBL5219413 0.92 CTSD (0.89) CTSDBACE1BACE2
SCHEMBL5219623 0.92 CTSD (0.89) CTSDBACE1BACE2
SCHEMBL5217517 0.92 CTSD (0.89) CTSDBACE1BACE2
SCHEMBL5217521 0.92 CTSD (0.89) CTSDBACE1BACE2
SCHEMBL5227485 0.92 CTSD (0.89) CTSDBACE1BACE2
SCHEMBL5224491 0.92 BACE1 (1.00) 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 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 claimed