SCHEMBL12592004

SCHEMBL12592004

COC[C@]1(C)CC2(N=C(N)N(C)C2=O)c2cc(-c3cncnc3)ccc2O1

nearest known ligand 0.75

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CTSD P07339 20/20 0.75
BACE1 P56817 20/20 0.75

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
SCHEMBL12592008 1.00 CTSD (0.75) CTSDBACE1
SCHEMBL12592167 0.90 CTSD (0.76) CTSDBACE1
SCHEMBL12592565 0.90 CTSD (0.76) CTSDBACE1
SCHEMBL12592136 0.86 CTSD (0.72) CTSDBACE1
SCHEMBL12592225 0.86 CTSD (1.00) CTSDBACE1
SCHEMBL12592535 0.85 CTSD (0.71) CTSDBACE1
SCHEMBL12592114 0.84 BACE1 (0.66) CTSDBACE1
SCHEMBL12592195 0.84 CTSD (0.70) CTSDBACE1
SCHEMBL12592007 0.84 BACE1 (0.77) CTSDBACE1
SCHEMBL12592168 0.84 BACE1 (0.77) 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