SCHEMBL2370322

SCHEMBL2370322

NC1=NCC[C@]2(O1)c1cc(-c3cccnc3F)ccc1Oc1c(F)cc(C3=CCOCC3)cc12

nearest known ligand 0.70

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.70
KCNH2 Q12809 2/20 0.70
CTSD P07339 2/20 0.55
CTSE P14091 1/20 0.46
BACE2 Q9Y5Z0 1/20 0.46

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
SCHEMBL2371402 0.87 BACE1 (0.70) BACE1KCNH2CTSDCTSEBACE2
SCHEMBL2370317 0.87 BACE1 (0.72) BACE1KCNH2CTSD
SCHEMBL14808383 0.87 BACE1 (0.51) BACE1KCNH2CTSD
SCHEMBL15418805 0.83 BACE1 (0.87) BACE1KCNH2CTSDCTSEBACE2
SCHEMBL2519399 0.83 BACE1 (0.87) BACE1KCNH2CTSDCTSEBACE2
SCHEMBL2519398 0.83 BACE1 (0.87) BACE1KCNH2CTSDCTSEBACE2
SCHEMBL2370529 0.83 BACE1 (0.52) BACE1KCNH2
SCHEMBL1995164 0.82 BACE1 (1.00) BACE1KCNH2CTSDCTSEBACE2
SCHEMBL1995167 0.82 BACE1 (1.00) BACE1KCNH2CTSDCTSEBACE2
SCHEMBL2370178 0.82 BACE1 (0.62) 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 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