SCHEMBL12592136

SCHEMBL12592136

CN1C(=O)C2(C[C@@](C)(Cc3ccccc3)Oc3ccc(-c4cncnc4)cc32)N=C1N

nearest known ligand 0.72

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CTSD P07339 20/20 0.72
BACE1 P56817 20/20 0.72

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
SCHEMBL12592535 0.92 CTSD (0.71) CTSDBACE1
SCHEMBL12592195 0.91 CTSD (0.70) CTSDBACE1
SCHEMBL12592151 0.91 CTSD (0.67) CTSDBACE1
SCHEMBL12592788 0.91 CTSD (0.75) CTSDBACE1
SCHEMBL25916193 0.91 CTSD (0.75) CTSDBACE1
SCHEMBL12592114 0.89 BACE1 (0.66) CTSDBACE1
SCHEMBL12591968 0.88 CTSD (0.68) CTSDBACE1
SCHEMBL12592202 0.87 CTSD (0.64) CTSDBACE1
SCHEMBL12591975 0.87 CTSD (0.68) CTSDBACE1
SCHEMBL12592004 0.86 CTSD (0.75) 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