SCHEMBL2370644

SCHEMBL2370644

CC(C)(C#N)COc1cc2c(cn1)Oc1ccc(-c3cccc(F)c3)cc1[C@@]21C=NCC(N)O1

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 8/20 0.39
KCNH2 Q12809 6/20 0.39
BACE2 Q9Y5Z0 1/20 0.32

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
SCHEMBL2370345 0.83 BACE1 (0.51) BACE1KCNH2BACE2
SCHEMBL2520360 0.78 BACE1 (0.50) BACE1KCNH2BACE2
SCHEMBL16641964 0.78 BACE1 (0.50) BACE1KCNH2BACE2
SCHEMBL2371299 0.69 BACE1 (0.44) BACE1KCNH2
SCHEMBL2371796 0.68 BACE1 (0.48) BACE1KCNH2
SCHEMBL2371627 0.68 BACE1 (0.44) BACE1KCNH2
SCHEMBL2371171 0.68 BACE1 (0.63) BACE1KCNH2BACE2
SCHEMBL2370423 0.65 BACE1 (0.63) BACE1KCNH2BACE2
SCHEMBL15418623 0.64 BACE1 (0.48) BACE1KCNH2
SCHEMBL2371306 0.64 BACE1 (0.59) BACE1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2547686-A1 AMINO -DIHYDROOXAZINE AND AMINO - DIHYDROTHIAZINE SPIRO COMPOUNDS AS BETA - SECRETASE MODULATORS AND THEIR MEDICAL USE Amgen Inc. (US) 2013-01-23 EP claimed
WO-2011115928-A1 AMINO -DIHYDROOXAZINE AND AMINO - DIHYDROTHIAZINE SPIRO COMPOUNDS AS BETA - SECRETASE MODULATORS AND THEIR MEDICAL USE AMGEN INC. (US) 2011-09-22 WO claimed
EP-2547686-A1 AMINO -DIHYDROOXAZINE AND AMINO - DIHYDROTHIAZINE SPIRO COMPOUNDS AS BETA - SECRETASE MODULATORS AND THEIR MEDICAL USE Amgen Inc. (US) 2013-01-23 EP disclosed
WO-2011115928-A1 AMINO -DIHYDROOXAZINE AND AMINO - DIHYDROTHIAZINE SPIRO COMPOUNDS AS BETA - SECRETASE MODULATORS AND THEIR MEDICAL USE AMGEN INC. (US) 2011-09-22 WO disclosed