SCHEMBL19217422

SCHEMBL19217422

COc1cnc2c(Nc3ccc4c(c3)[C@@]3(CCOC(N)=N3)c3cc(C5=CCOCC5)ncc3O4)nccc2c1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.56
CTSD P07339 2/20 0.47
BACE2 Q9Y5Z0 1/20 0.46

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
SCHEMBL17210421 0.91 BACE1 (0.69) BACE1
SCHEMBL17210384 0.90 BACE1 (0.62) BACE1CTSDBACE2
SCHEMBL15717732 0.88 BACE1 (0.55) BACE1CTSDBACE2
SCHEMBL15719871 0.85 BACE1 (0.49) BACE1CTSDBACE2
SCHEMBL15717670 0.81 BACE1 (0.71) BACE1CTSD
SCHEMBL15717415 0.80 BACE1 (0.70) BACE1
SCHEMBL17201837 0.80 BACE1 (0.62) BACE1CTSDBACE2
SCHEMBL17201842 0.79 BACE1 (0.61) BACE1CTSD
SCHEMBL17201840 0.79 BACE1 (0.61) BACE1CTSD
SCHEMBL17210398 0.75 BACE1 (0.47) BACE1CTSDBACE2

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
US-9725469-B2 Amino-oxazine and amino-dihydrothiazine compounds as beta-secretase modulators and methods of use AMGEN, INC. (US) 2017-08-08 US disclosed