SCHEMBL2371008

SCHEMBL2371008

NC1CN=C[C@]2(O1)c1cc(-c3cccnc3F)ccc1Oc1cnc(N3CCC(F)(F)CC3)cc12

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.65
CTSD P07339 12/20 0.65
KCNH2 Q12809 3/20 0.51

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
SCHEMBL2370717 0.95 BACE1 (0.65) BACE1CTSDKCNH2
SCHEMBL2371306 0.81 BACE1 (0.59) BACE1CTSD
SCHEMBL2371056 0.81 BACE1 (0.62) BACE1CTSD
SCHEMBL2371883 0.78 BACE1 (1.00) BACE1CTSDKCNH2
SCHEMBL2382289 0.78 BACE1 (1.00) BACE1CTSDKCNH2
SCHEMBL2371724 0.78 BACE1 (0.51) BACE1CTSDKCNH2
SCHEMBL2369943 0.78 BACE1 (0.65) BACE1CTSD
SCHEMBL2370676 0.78 BACE1 (0.60) BACE1CTSDKCNH2
SCHEMBL2380832 0.77 BACE1 (0.80) BACE1CTSDKCNH2
SCHEMBL2380837 0.77 BACE1 (0.80) 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 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