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Sugi Predict / Compounds / SCHEMBL2371338

SCHEMBL2371338

SCHEMBL2371338

CC(C)(C)OC(=O)N[C@@H]1CNCC2(O1)c1cc(O)ccc1Oc1ccc(-c3cccnc3F)cc12

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 20/20 0.39
▸ CTSD P07339 11/20 0.38
▸ KCNH2 Q12809 1/20 0.36
▸ BACE2 Q9Y5Z0 1/20 0.35

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
SCHEMBL2370687 0.88 BACE1 (0.41) BACE1CTSDKCNH2BACE2
SCHEMBL2370768 0.80 BACE1 (0.43) BACE1CTSDKCNH2
SCHEMBL2371091 0.77 USP30 (0.30) —
SCHEMBL15418908 0.76 BACE1 (0.48) BACE1CTSDKCNH2BACE2
SCHEMBL15418909 0.76 BACE1 (0.48) BACE1CTSDKCNH2BACE2
SCHEMBL2370348 0.76 BACE1 (0.45) BACE1CTSDKCNH2
SCHEMBL2370944 0.74 BACE1 (0.38) BACE1
SCHEMBL2370685 0.74 BACE1 (0.37) BACE1KCNH2
SCHEMBL2370594 0.72 BACE1 (0.45) BACE1CTSDKCNH2BACE2
SCHEMBL2371007 0.72 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