SCHEMBL5219986

SCHEMBL5219986

CCNc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@@H](CNC(C)CCCC(C)C)OC=O)cc(N2CCCC2=O)c1

nearest known ligand 0.81

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CTSD P07339 20/20 0.81
BACE1 P56817 20/20 0.81
BACE2 Q9Y5Z0 19/20 0.81

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
SCHEMBL5221130 0.91 CTSD (0.67) CTSDBACE1BACE2
SCHEMBL5221366 0.90 CTSD (0.65) CTSDBACE1BACE2
Formic Acid SCHEMBL5219979 0.90 CTSD (0.94) CTSDBACE1BACE2
SCHEMBL5222984 0.90 CTSD (1.00) CTSDBACE1BACE2
SCHEMBL5222973 0.90 CTSD (1.00) CTSDBACE1BACE2
SCHEMBL5218617 0.89 CTSD (0.73) CTSDBACE1BACE2
SCHEMBL5219708 0.88 CTSD (0.96) CTSDBACE1BACE2
SCHEMBL5219702 0.88 CTSD (0.96) CTSDBACE1BACE2
SCHEMBL5225776 0.84 CTSD (0.80) CTSDBACE1BACE2
SCHEMBL5218207 0.83 CTSD (0.96) 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 disclosed