SCHEMBL7719692

SCHEMBL7719692

CCc1cncc(-c2ccc3c(c2)C2(COC(N)=N2)CC(C)(C)C3)c1

nearest known ligand 0.74

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.74
CTSD P07339 11/20 0.74
KCNH2 Q12809 4/20 0.56

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
SCHEMBL427973 0.85 BACE1 (1.00) BACE1CTSDKCNH2
SCHEMBL427974 0.85 BACE1 (1.00) BACE1CTSDKCNH2
SCHEMBL430504 0.85 BACE1 (1.00) BACE1CTSDKCNH2
SCHEMBL429086 0.85 BACE1 (1.00) BACE1CTSDKCNH2
SCHEMBL427982 0.85 BACE1 (1.00) BACE1CTSDKCNH2
SCHEMBL430760 0.84 BACE1 (0.74) BACE1CTSDKCNH2
SCHEMBL448739 0.83 BACE1 (0.73) BACE1CTSDKCNH2
SCHEMBL430500 0.77 BACE1 (0.77) BACE1CTSD
SCHEMBL429076 0.75 BACE1 (0.77) BACE1CTSDKCNH2
SCHEMBL431081 0.75 BACE1 (0.77) BACE1CTSDKCNH2

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-2011123674-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES ARRAY BIOPHARMA INC. (US) 2011-10-06 WO disclosed