SCHEMBL14877620

SCHEMBL14877620

CC(C)(C)C#Cc1ccc2c(n1)[C@@]1(COC(N)=N1)c1cc(-c3cncnc3)ccc1O2

nearest known ligand 0.74

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.74
KCNH2 Q12809 10/20 0.74
CTSD P07339 5/20 0.58
CTSE P14091 1/20 0.58
BACE2 Q9Y5Z0 1/20 0.58

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
SCHEMBL15509813 1.00 BACE1 (0.74) BACE1KCNH2CTSDCTSEBACE2
SCHEMBL15510418 0.91 BACE1 (0.61) BACE1KCNH2CTSDCTSEBACE2
SCHEMBL2012698 0.86 BACE1 (0.78) BACE1KCNH2CTSDCTSEBACE2
SCHEMBL1995696 0.85 BACE1 (1.00) BACE1KCNH2CTSDCTSEBACE2
SCHEMBL2000701 0.85 BACE1 (1.00) BACE1KCNH2CTSDCTSEBACE2
SCHEMBL2011609 0.85 BACE1 (1.00) BACE1KCNH2CTSDCTSEBACE2
SCHEMBL2006851 0.80 BACE1 (0.83) BACE1KCNH2CTSDCTSEBACE2
SCHEMBL2006847 0.80 BACE1 (0.83) BACE1KCNH2CTSDCTSEBACE2
SCHEMBL15510517 0.80 BACE1 (0.75) BACE1KCNH2CTSDCTSEBACE2
SCHEMBL15510096 0.80 BACE1 (0.75) 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 3 patents. 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
US-8426447-B2 Spiro-tricyclic ring compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2013-04-23 US disclosed
US-8426447-B2 Spiro-tricyclic ring compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2013-04-23 US disclosed