SCHEMBL5220508

SCHEMBL5220508

CCOc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN)cc(N2CCCCS2(O)O)c1

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CTSD P07339 17/20 0.63
BACE1 P56817 15/20 0.63
BACE2 Q9Y5Z0 14/20 0.63

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
SCHEMBL5220513 1.00 CTSD (0.63) CTSDBACE1BACE2
SCHEMBL5224333 0.97 CTSD (0.63) CTSDBACE1BACE2
SCHEMBL5224360 0.97 CTSD (0.63) CTSDBACE1BACE2
SCHEMBL5220511 0.93 BACE1 (0.71) CTSDBACE1BACE2
SCHEMBL5221428 0.90 CTSD (0.66) CTSDBACE1BACE2
SCHEMBL5220167 0.90 BACE1 (0.52) CTSDBACE1BACE2
SCHEMBL5220155 0.90 BACE1 (0.52) CTSDBACE1BACE2
SCHEMBL5224310 0.90 BACE1 (0.70) CTSDBACE1BACE2
SCHEMBL5260965 0.88 CTSD (0.65) CTSDBACE1BACE2
SCHEMBL5219119 0.87 BACE1 (0.52) 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