SCHEMBL1981983

SCHEMBL1981983

CN1C(=O)C2(CC(CF)(CF)Oc3ccc(-c4cncc(Cl)c4)cc32)N=C1N

nearest known ligand 0.77

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CTSD P07339 20/20 0.77
BACE1 P56817 20/20 0.77

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
SCHEMBL12593079 0.92 CTSD (0.78) CTSDBACE1
SCHEMBL1981495 0.89 CTSD (0.76) CTSDBACE1
SCHEMBL1981979 0.87 CTSD (1.00) CTSDBACE1
SCHEMBL12592238 0.85 CTSD (0.78) CTSDBACE1
SCHEMBL12592175 0.84 CTSD (0.77) CTSDBACE1
SCHEMBL12592167 0.83 CTSD (0.76) CTSDBACE1
SCHEMBL12592565 0.83 CTSD (0.76) CTSDBACE1
SCHEMBL12591937 0.83 CTSD (0.76) CTSDBACE1
SCHEMBL12592746 0.83 CTSD (0.73) CTSDBACE1
SCHEMBL12592788 0.83 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 2 patents. 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
WO-2011072064-A1 S PIRO [CHROMAN - 4, 4 ' - IMIDAZOL] ONES AS BETA - SECRETASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2011-06-16 WO disclosed