SCHEMBL2370970

SCHEMBL2370970

N[C@@H]1CNCC2(O1)c1cc(O)ccc1Oc1c(F)cc(C3=CCOCC3)cc12

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 16/20 0.42
KCNH2 Q12809 2/20 0.42
MAPK14 Q16539 1/20 0.31
PIK3CD O00329 1/20 0.31
PIK3CA P42336 1/20 0.31
CTSD P07339 1/20 0.30

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
SCHEMBL2371857 0.86 BACE1 (0.42) BACE1CTSD
SCHEMBL2370178 0.84 BACE1 (0.62) BACE1KCNH2CTSD
SCHEMBL2370685 0.82 BACE1 (0.37) BACE1KCNH2
SCHEMBL2371012 0.81 BACE1 (0.39) BACE1CTSD
SCHEMBL2369861 0.80
SCHEMBL2371375 0.75 BACE1 (0.62) BACE1KCNH2CTSD
SCHEMBL2371566 0.75 CTSD (0.32) BACE1CTSD
SCHEMBL2370968 0.73 BACE1 (0.72) BACE1KCNH2CTSD
SCHEMBL2370974 0.73 BACE1 (0.72) BACE1KCNH2CTSD
SCHEMBL2371007 0.73 BACE1 (0.46) BACE1KCNH2

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