SCHEMBL15510345

SCHEMBL15510345

Cn1cc(-c2ccc3c(c2)[C@]2(COC(N)=N2)c2cc(Br)ccc2O3)cn1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.57
CTSD P07339 8/20 0.53
KCNH2 Q12809 5/20 0.49
CTSE P14091 1/20 0.48
BACE2 Q9Y5Z0 1/20 0.48

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
SCHEMBL2521545 0.88 BACE1 (0.60) BACE1CTSDKCNH2CTSEBACE2
SCHEMBL15509713 0.85 BACE1 (0.66) BACE1CTSDKCNH2
SCHEMBL15510013 0.85 BACE1 (0.65) BACE1CTSDKCNH2
SCHEMBL15510174 0.83 BACE1 (0.57) BACE1CTSDKCNH2
SCHEMBL1990659 0.83 BACE1 (0.72) BACE1CTSDKCNH2CTSEBACE2
SCHEMBL1990663 0.83 BACE1 (0.72) BACE1CTSDKCNH2CTSEBACE2
SCHEMBL1994890 0.82 BACE1 (0.71) BACE1CTSDKCNH2
SCHEMBL1994889 0.82 BACE1 (0.71) BACE1CTSDKCNH2
SCHEMBL15509609 0.81 BACE1 (0.76) BACE1CTSDKCNH2CTSEBACE2
SCHEMBL15509841 0.81 BACE1 (0.84) 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 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