SCHEMBL16641964

SCHEMBL16641964

CC(C)(C#N)COc1cc2c(cn1)Oc1ccc(-c3cccc(F)c3)cc1C21COCC(N)=N1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.50
KCNH2 Q12809 8/20 0.50
CTSD P07339 1/20 0.39
CTSE P14091 1/20 0.39
BACE2 Q9Y5Z0 1/20 0.39

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
SCHEMBL2520360 1.00 BACE1 (0.50) BACE1KCNH2CTSDCTSEBACE2
SCHEMBL15418810 0.87 BACE1 (0.44) BACE1KCNH2CTSD
SCHEMBL15418623 0.86 BACE1 (0.48) BACE1KCNH2CTSD
SCHEMBL15418727 0.85 BACE1 (0.47) BACE1KCNH2CTSD
SCHEMBL2523979 0.83 BACE1 (0.65) BACE1KCNH2CTSDCTSEBACE2
SCHEMBL2523423 0.83 BACE1 (0.65) BACE1KCNH2CTSDCTSEBACE2
SCHEMBL2520352 0.80 BACE1 (0.63) BACE1KCNH2CTSDCTSEBACE2
SCHEMBL2520346 0.80 BACE1 (0.63) BACE1KCNH2CTSDCTSEBACE2
SCHEMBL2523399 0.78 BACE1 (0.64) BACE1KCNH2CTSD
SCHEMBL2525830 0.78 BACE1 (0.64) BACE1KCNH2CTSD

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-9012446-B2 Amino-oxazines and amino-dihydrothiazine compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2015-04-21 US disclosed