SCHEMBL5223703

SCHEMBL5223703

CCCCCOc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@@H](O)CN[C@@H](C)C(=O)NC2CCCCC2)cc(N2CCCC2=O)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CTSD P07339 20/20 1.00
BACE1 P56817 20/20 1.00
BACE2 Q9Y5Z0 19/20 1.00

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
SCHEMBL5219365 1.00 CTSD (1.00) CTSDBACE1BACE2
SCHEMBL5221294 0.97 CTSD (1.00) CTSDBACE1BACE2
SCHEMBL5225156 0.97 CTSD (1.00) CTSDBACE1BACE2
SCHEMBL5221404 0.95 BACE1 (0.90) CTSDBACE1BACE2
SCHEMBL5219455 0.95 BACE1 (0.90) CTSDBACE1BACE2
SCHEMBL5226997 0.95 BACE1 (0.90) CTSDBACE1BACE2
SCHEMBL5219589 0.95 BACE1 (0.90) CTSDBACE1BACE2
Formic Acid SCHEMBL5220260 0.94 CTSD (0.95) CTSDBACE1BACE2
SCHEMBL5223941 0.94 BACE1 (0.90) CTSDBACE1BACE2
SCHEMBL5219904 0.94 BACE1 (0.90) 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