SCHEMBL5217274

SCHEMBL5217274

O=C(O)N[C@@H](Cc1ccccc1)[C@H](O)CNCC1CCOCC1

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 9/20 0.52
CTSD P07339 2/20 0.52
BACE2 Q9Y5Z0 2/20 0.52
SLC6A11 P48066 1/20 0.48
BCHE P06276 2/20 0.46
CCR1 P32246 2/20 0.43

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
SCHEMBL5217284 1.00 BACE1 (0.52) BACE1CTSDBACE2SLC6A11BCHE
SCHEMBL5930046 0.92 BACE1 (0.53) BACE1CTSDBACE2SLC6A11BCHE
SCHEMBL5930039 0.92 BACE1 (0.53) BACE1CTSDBACE2SLC6A11BCHE
SCHEMBL5400909 0.86 KLK5 (0.52) BACE1CTSDBACE2BCHE
SCHEMBL5400906 0.86 KLK5 (0.52) BACE1CTSDBACE2BCHE
SCHEMBL5431141 0.84 KDM4E (0.50) BACE1SLC6A11
SCHEMBL5431147 0.84 KDM4E (0.50) BACE1SLC6A11
SCHEMBL7306846 0.83 BACE1 (0.60) BACE1SLC6A11BCHE
SCHEMBL7305633 0.83 BACE1 (0.60) BACE1SLC6A11BCHE
SCHEMBL5221965 0.81 TACR2 (0.43) BACE1CTSDBACE2BCHE

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