SCHEMBL2371562

SCHEMBL2371562

CC1(C#Cc2cnc3c(c2)[C@]2(CCN=C(N)O2)c2cc(-c4cccnc4F)ccc2O3)COC1

nearest known ligand 0.72

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.72
BACE2 Q9Y5Z0 3/20 0.72
CTSD P07339 2/20 0.72
KCNH2 Q12809 5/20 0.55

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
SCHEMBL2370585 0.89 BACE1 (0.58) BACE1BACE2CTSDKCNH2
SCHEMBL2370654 0.89 BACE1 (0.58) BACE1BACE2CTSDKCNH2
SCHEMBL2370927 0.89 BACE1 (0.58) BACE1BACE2CTSDKCNH2
SCHEMBL1998426 0.84 BACE1 (1.00) BACE1BACE2CTSDKCNH2
SCHEMBL1998429 0.84 BACE1 (1.00) BACE1BACE2CTSDKCNH2
SCHEMBL2520014 0.84 BACE1 (0.87) BACE1BACE2CTSDKCNH2
SCHEMBL2523515 0.84 BACE1 (0.87) BACE1BACE2CTSDKCNH2
SCHEMBL2371340 0.82 BACE1 (0.65) BACE1BACE2CTSDKCNH2
SCHEMBL15418920 0.82 BACE1 (0.82) BACE1BACE2CTSDKCNH2
SCHEMBL2521688 0.82 BACE1 (0.82) BACE1BACE2CTSDKCNH2

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