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Sugi Predict / Compounds / SCHEMBL5224491

SCHEMBL5224491

SCHEMBL5224491

CC(C)Nc1cc(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
▸ BACE1 P56817 20/20 1.00
▸ CTSD P07339 19/20 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
SCHEMBL5218307 1.00 BACE1 (1.00) BACE1CTSDBACE2
SCHEMBL5219532 0.95 CTSD (0.90) BACE1CTSDBACE2
SCHEMBL5225692 0.95 CTSD (0.90) BACE1CTSDBACE2
SCHEMBL5220100 0.94 BACE1 (0.90) BACE1CTSDBACE2
SCHEMBL5220108 0.94 BACE1 (0.90) BACE1CTSDBACE2
SCHEMBL5219413 0.94 CTSD (0.89) BACE1CTSDBACE2
SCHEMBL5219623 0.94 CTSD (0.89) BACE1CTSDBACE2
SCHEMBL5217517 0.94 CTSD (0.89) BACE1CTSDBACE2
SCHEMBL5217521 0.94 CTSD (0.89) BACE1CTSDBACE2
SCHEMBL5227485 0.94 CTSD (0.89) BACE1CTSDBACE2

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