SCHEMBL8214566

SCHEMBL8214566

NC1=NC(c2ccncc2)(c2cccc(-c3cccc(N)c3)c2)C2=NCCCN12

nearest known ligand 0.81

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.81
BACE2 Q9Y5Z0 12/20 0.62
APP P05067 1/20 0.62
CTSD P07339 11/20 0.62
REN P00797 1/20 0.54

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
SCHEMBL4888987 0.89 BACE1 (0.78) BACE1BACE2APPCTSDREN
SCHEMBL5660194 0.89 BACE1 (1.00) BACE1BACE2APPCTSDREN
SCHEMBL4884566 0.89 BACE1 (0.76) BACE1BACE2APPCTSDREN
SCHEMBL8224091 0.87 BACE1 (0.74) BACE1BACE2APPCTSDREN
SCHEMBL4883718 0.87 BACE1 (0.76) BACE1BACE2APPCTSDREN
SCHEMBL4887997 0.87 BACE1 (0.76) BACE1BACE2APPCTSDREN
Hydrochloric Acid SCHEMBL4248444 0.86 BACE1 (0.72) BACE1BACE2APPCTSDREN
SCHEMBL5661819 0.86 BACE1 (0.79) BACE1BACE2APPCTSDREN
SCHEMBL4891069 0.85 BACE1 (0.71) BACE1BACE2APPCTSDREN
SCHEMBL4887607 0.85 BACE1 (0.71) BACE1BACE2APPCTSDREN

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
WO-2007145569-A9 AMINO-IMIDAZOLONES AND THEIR USE AS A MEDICAMENT FOR TREATING COGNITIVE IMPAIRMENT, ALZHEIMER DISEASE, NEURODEGENERATION AND DEMENTIA ASTRAZENECA AB (SE) 2008-12-11 WO disclosed