SCHEMBL6893153

SCHEMBL6893153

Bc1cccc(C2(C)N=C(C)C(O)=N2)c1

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.42
KCNH2 Q12809 1/20 0.42

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
SCHEMBL9125159 0.62 CHRNB2 (0.35) BACE1
SCHEMBL14144112 0.60 OPRD1 (0.41)
SCHEMBL12823209 0.60 TSHR (0.41) BACE1KCNH2
SCHEMBL932151 0.59 CHRNA1 (0.35) BACE1
SCHEMBL23715176 0.59 SIGMAR1 (0.33) BACE1KCNH2
SCHEMBL22306764 0.58 OPRD1 (0.39)
SCHEMBL2735490 0.57
SCHEMBL764969 0.57
SCHEMBL8222072 0.57
SCHEMBL12886827 0.57 ACHE (0.53)

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