SCHEMBL2371738

SCHEMBL2371738

CN(C)/C=N/C1=NCC[C@@]2(O1)c1cc(-c3cccnc3F)ccc1Oc1ncc(Br)cc12

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.43
KCNH2 Q12809 5/20 0.43
BACE2 Q9Y5Z0 3/20 0.41
CTSD P07339 1/20 0.41

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
SCHEMBL2369961 0.91 BACE1 (0.43) BACE1KCNH2BACE2CTSD
SCHEMBL2370918 0.91 BACE1 (0.43) BACE1KCNH2BACE2CTSD
SCHEMBL2370336 0.83 BACE1 (0.51) BACE1KCNH2BACE2CTSD
SCHEMBL2370821 0.83 BACE1 (0.51) BACE1KCNH2BACE2CTSD
SCHEMBL2371308 0.83 BACE1 (0.51) BACE1KCNH2BACE2CTSD
SCHEMBL2522881 0.83 BACE1 (0.51) BACE1KCNH2BACE2CTSD
SCHEMBL2522880 0.83 BACE1 (0.51) BACE1KCNH2BACE2CTSD
SCHEMBL2521096 0.73 BACE1 (0.51) BACE1KCNH2BACE2CTSD
SCHEMBL2521101 0.73 BACE1 (0.51) BACE1KCNH2BACE2CTSD
SCHEMBL2525614 0.73 BACE1 (0.51) BACE1KCNH2BACE2CTSD

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