SCHEMBL15510205

SCHEMBL15510205

CC(C)(C)COc1c(Br)ccc2c1C1(COC(N)=N1)c1ccccc1O2

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.53
KCNH2 Q12809 11/20 0.53
CTSD P07339 2/20 0.49
CTSE P14091 1/20 0.49
BACE2 Q9Y5Z0 1/20 0.49

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
SCHEMBL3273303 0.84 BACE1 (0.57) BACE1KCNH2CTSDCTSEBACE2
SCHEMBL1992842 0.81 BACE1 (0.77) BACE1KCNH2CTSDCTSEBACE2
SCHEMBL15510542 0.81 BACE1 (0.77) BACE1KCNH2CTSDCTSEBACE2
SCHEMBL1992843 0.81 BACE1 (0.77) BACE1KCNH2CTSDCTSEBACE2
SCHEMBL15510370 0.77 BACE1 (0.43) BACE1KCNH2CTSD
SCHEMBL15510372 0.77 BACE1 (0.43) BACE1KCNH2CTSD
SCHEMBL2372425 0.74 BACE1 (0.46) BACE1KCNH2CTSDCTSEBACE2
SCHEMBL2371257 0.73 BACE1 (0.54) BACE1KCNH2CTSD
SCHEMBL1995700 0.73 BACE1 (0.72) BACE1KCNH2CTSDCTSEBACE2
SCHEMBL1994399 0.73 BACE1 (0.72) BACE1KCNH2CTSDCTSEBACE2

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