SCHEMBL15510522

SCHEMBL15510522

Cn1cc(-c2cnc3c(c2)[C@]2(COC(N)=N2)c2cc(-c4cccnc4F)ccc2O3)cn1

nearest known ligand 0.79

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.79
KCNH2 Q12809 5/20 0.79
CTSD P07339 5/20 0.66
BACE2 Q9Y5Z0 3/20 0.66

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
SCHEMBL15509841 0.92 BACE1 (0.84) BACE1KCNH2CTSD
SCHEMBL1993519 0.88 BACE1 (1.00) BACE1KCNH2CTSDBACE2
SCHEMBL15510611 0.88 BACE1 (0.87) BACE1KCNH2CTSDBACE2
SCHEMBL1993518 0.88 BACE1 (1.00) BACE1KCNH2CTSDBACE2
SCHEMBL2011413 0.88 BACE1 (1.00) BACE1KCNH2CTSD
SCHEMBL15510365 0.88 BACE1 (0.78) BACE1KCNH2CTSD
SCHEMBL15509630 0.87 BACE1 (0.85) BACE1KCNH2CTSDBACE2
SCHEMBL2381648 0.87 BACE1 (0.78) BACE1KCNH2CTSD
SCHEMBL15509963 0.86 BACE1 (0.84) BACE1KCNH2CTSDBACE2
SCHEMBL15510292 0.86 BACE1 (1.00) 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