SCHEMBL15418602

SCHEMBL15418602

CC(C)C#Cc1cnc2c(c1)[C@]1(COCC(N)=N1)c1cc(-c3cccnc3F)ccc1O2

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.65
BACE2 Q9Y5Z0 3/20 0.65
CTSD P07339 1/20 0.65
KCNH2 Q12809 5/20 0.64

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
SCHEMBL2382008 0.89 BACE1 (0.80) BACE1BACE2CTSDKCNH2
SCHEMBL2522762 0.89 BACE1 (0.80) BACE1BACE2CTSDKCNH2
SCHEMBL2521687 0.89 BACE1 (0.82) BACE1BACE2CTSDKCNH2
SCHEMBL2521688 0.89 BACE1 (0.82) BACE1BACE2CTSDKCNH2
SCHEMBL15418920 0.89 BACE1 (0.82) BACE1BACE2CTSDKCNH2
SCHEMBL2522453 0.84 BACE1 (0.79) BACE1BACE2CTSDKCNH2
SCHEMBL2522452 0.84 BACE1 (0.79) BACE1BACE2CTSDKCNH2
SCHEMBL2525690 0.84 BACE1 (0.68) BACE1BACE2CTSDKCNH2
SCHEMBL2519272 0.84 BACE1 (0.61) BACE1BACE2CTSDKCNH2
SCHEMBL2521079 0.84 BACE1 (0.68) BACE1BACE2CTSDKCNH2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2547686-B1 AMINO-DIHYDROOXAZINE AND AMINO-DIHYDROTHIAZINE SPIRO COMPOUNDS AS BETA-SECRETASE MODULATORS AND THEIR MEDICAL USE AMGEN INC (US) 2014-01-22 EP disclosed