SCHEMBL15510053

SCHEMBL15510053

CC(C)(C)COc1ccc2c(c1)[C@]1(COC(N)=N1)c1cc(-c3ccc(N4CCOCC4)nc3)ccc1O2

nearest known ligand 0.72

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.72
KCNH2 Q12809 10/20 0.72
CTSD P07339 3/20 0.69
CTSE P14091 1/20 0.69
BACE2 Q9Y5Z0 1/20 0.69

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
SCHEMBL2015085 0.86 BACE1 (0.65) BACE1KCNH2CTSDCTSEBACE2
SCHEMBL2014374 0.86 BACE1 (0.65) BACE1KCNH2CTSDCTSEBACE2
SCHEMBL15509512 0.85 BACE1 (0.82) BACE1KCNH2CTSDCTSEBACE2
SCHEMBL15510023 0.85 BACE1 (0.82) BACE1KCNH2CTSDCTSEBACE2
SCHEMBL15510015 0.84 BACE1 (0.80) BACE1KCNH2CTSDCTSEBACE2
SCHEMBL15509985 0.84 BACE1 (1.00) BACE1KCNH2CTSDCTSEBACE2
SCHEMBL15510471 0.84 BACE1 (1.00) BACE1KCNH2CTSDCTSEBACE2
SCHEMBL15509710 0.84 BACE1 (0.80) BACE1KCNH2CTSDCTSEBACE2
SCHEMBL15510390 0.83 BACE1 (0.81) BACE1KCNH2CTSDCTSEBACE2
SCHEMBL7924893 0.83 BACE1 (0.85) 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