SCHEMBL932637

SCHEMBL932637

COc1cccc(-c2cccc(C3(C4CCN(C(=O)O)CC4)N=C(C)C(N)=N3)c2)c1

nearest known ligand 0.86

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.86
KCNH2 Q12809 5/20 0.69
BACE2 Q9Y5Z0 4/20 0.51

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
SCHEMBL943489 0.82 BACE1 (1.00) BACE1KCNH2BACE2
SCHEMBL932073 0.82 BACE1 (0.59) BACE1KCNH2BACE2
SCHEMBL6891263 0.77 BACE1 (0.74) BACE1KCNH2BACE2
SCHEMBL6891103 0.72 BACE1 (0.56) BACE1KCNH2BACE2
SCHEMBL4706336 0.71 BACE1 (0.75) BACE1BACE2
SCHEMBL932141 0.70 BACE1 (0.45) BACE1KCNH2BACE2
SCHEMBL6893840 0.70 BACE1 (1.00) BACE1KCNH2
SCHEMBL932138 0.70 BACE1 (1.00) BACE1KCNH2
SCHEMBL946784 0.70 BACE1 (0.76) BACE1KCNH2BACE2
SCHEMBL5146620 0.69 BACE1 (0.71) BACE1BACE2

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