SCHEMBL932274

SCHEMBL932274

CC1=NC(CC2CCOCC2)(c2cccc(Br)c2)N=C1N

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 16/20 0.43
KCNH2 Q12809 2/20 0.43
APP P05067 11/20 0.40
NPSR1 Q6W5P4 1/20 0.36
BACE2 Q9Y5Z0 1/20 0.35

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
SCHEMBL932037 0.81 BACE1 (0.68) BACE1KCNH2BACE2
SCHEMBL1076369 0.79 BACE1 (0.51) BACE1KCNH2APPNPSR1BACE2
SCHEMBL943862 0.79 BACE1 (0.63) BACE1KCNH2APPBACE2
SCHEMBL931427 0.78 BACE1 (0.49) BACE1KCNH2APPBACE2
SCHEMBL932309 0.77 BACE1 (0.44) BACE1KCNH2APP
SCHEMBL932718 0.77 BACE1 (0.58) BACE1KCNH2BACE2
SCHEMBL1082670 0.74 CHRNA1 (0.34) BACE1KCNH2NPSR1
SCHEMBL932777 0.73 BACE1 (0.65) BACE1KCNH2APPNPSR1
SCHEMBL932230 0.71 BACE1 (0.59) BACE1KCNH2APPBACE2
SCHEMBL931281 0.69 BACE1 (0.60) BACE1KCNH2APPBACE2

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-2011002408-A1 NOVEL COMPOUNDS FOR TREATMENT OF NEURODEGENERATION ASSOCIATED WITH DISEASES, SUCH AS ALZHEIMER'S DISEASE OR DEMENTIA ASTRAZENECA AB (SE) 2011-01-06 WO disclosed