SCHEMBL2371335

SCHEMBL2371335

COc1cc2c(cn1)Oc1ccc(-c3ccc(F)c(F)c3)cc1C21CNC[C@@H](N)O1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 17/20 0.34
CTSD P07339 5/20 0.34
DPP4 P27487 1/20 0.32
DPP8 Q6V1X1 1/20 0.32
DPP7 Q9UHL4 1/20 0.32
FFAR1 O14842 2/20 0.31
ABCB11 O95342 1/20 0.31
KCNH2 Q12809 1/20 0.31

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
SCHEMBL2370642 0.85 BACE1 (0.47) BACE1CTSDKCNH2
SCHEMBL2371275 0.84 BACE1 (0.37) BACE1
SCHEMBL2371042 0.81 BACE1 (0.45) BACE1CTSDKCNH2
SCHEMBL2370421 0.77 BACE1 (0.50) BACE1CTSDKCNH2
SCHEMBL2371026 0.75 BACE1 (0.43) BACE1CTSDKCNH2
SCHEMBL2370314 0.74 BACE1 (0.35) BACE1
SCHEMBL2370445 0.74 BACE1 (0.36) BACE1CTSD
SCHEMBL2524230 0.72 BACE1 (0.53) BACE1CTSDKCNH2
SCHEMBL2524233 0.72 BACE1 (0.53) BACE1CTSDKCNH2
SCHEMBL2370545 0.72 BACE1 (0.47) BACE1CTSDKCNH2

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
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