SCHEMBL15510055

SCHEMBL15510055

CC(C)(C)COc1ccc2c(c1)[C@]1(COC(N)=N1)c1cc(-c3cccnc3F)cnc1O2

nearest known ligand 0.88

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.88
KCNH2 Q12809 10/20 0.88
CTSD P07339 1/20 0.66
BACE2 Q9Y5Z0 2/20 0.65

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
SCHEMBL15509778 1.00 BACE1 (0.88) BACE1KCNH2CTSDBACE2
SCHEMBL15509957 0.94 BACE1 (1.00) BACE1KCNH2CTSDBACE2
SCHEMBL15509665 0.94 BACE1 (1.00) BACE1KCNH2CTSDBACE2
SCHEMBL15509968 0.91 BACE1 (1.00) BACE1KCNH2CTSDBACE2
SCHEMBL15509454 0.89 BACE1 (0.91) BACE1KCNH2CTSDBACE2
SCHEMBL15509873 0.87 BACE1 (0.75) BACE1KCNH2CTSDBACE2
SCHEMBL15510318 0.87 BACE1 (0.75) BACE1KCNH2CTSDBACE2
SCHEMBL1998070 0.87 BACE1 (0.89) BACE1KCNH2CTSDBACE2
SCHEMBL2009827 0.87 BACE1 (0.89) BACE1KCNH2CTSDBACE2
SCHEMBL1998065 0.87 BACE1 (0.89) BACE1KCNH2CTSDBACE2

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-2328903-B1 SPIRO-TETRACYCLIC RING COMPOUNDS AS BETASECRETASE MODULATORS AND METHODS OF USE AMGEN INC (US) 2014-03-05 EP disclosed