SCHEMBL12592012

SCHEMBL12592012

CCc1cccc(-c2ccc3c(c2)[C@]2(CC(C)(C)O3)N=C(N)N(C)C2=O)c1

nearest known ligand 0.78

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CTSD P07339 20/20 0.78
BACE1 P56817 20/20 0.78

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
SCHEMBL12592287 1.00 CTSD (0.78) CTSDBACE1
SCHEMBL12591952 0.91 CTSD (0.82) CTSDBACE1
SCHEMBL12592089 0.90 CTSD (0.75) CTSDBACE1
SCHEMBL12592767 0.89 CTSD (0.76) CTSDBACE1
SCHEMBL12592518 0.88 CTSD (0.72) CTSDBACE1
SCHEMBL12591954 0.88 CTSD (0.84) CTSDBACE1
SCHEMBL12592258 0.88 CTSD (1.00) CTSDBACE1
SCHEMBL12592320 0.87 CTSD (0.83) CTSDBACE1
SCHEMBL12591955 0.86 CTSD (0.81) CTSDBACE1
SCHEMBL12592717 0.86 CTSD (1.00) CTSDBACE1

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-2011072064-A1 S PIRO [CHROMAN - 4, 4 ' - IMIDAZOL] ONES AS BETA - SECRETASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2011-06-16 WO disclosed