SCHEMBL15510034

SCHEMBL15510034

CC(C)(C)C#Cc1cnc2c(c1)[C@]1(COC(N)=N1)c1cc(-c3ccc(F)nc3)ccc1O2

nearest known ligand 0.74

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.74
KCNH2 Q12809 12/20 0.74
BACE2 Q9Y5Z0 3/20 0.65
CTSD P07339 2/20 0.57

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
SCHEMBL15510167 0.93 BACE1 (0.75) BACE1KCNH2BACE2CTSD
SCHEMBL15509619 0.92 BACE1 (0.76) BACE1KCNH2BACE2CTSD
SCHEMBL15510106 0.91 BACE1 (0.75) BACE1KCNH2BACE2CTSD
SCHEMBL15510392 0.91 BACE1 (0.75) BACE1KCNH2BACE2CTSD
SCHEMBL2006851 0.89 BACE1 (0.83) BACE1KCNH2BACE2CTSD
SCHEMBL2006847 0.89 BACE1 (0.83) BACE1KCNH2BACE2CTSD
SCHEMBL12212400 0.88 BACE1 (0.74) BACE1KCNH2BACE2CTSD
SCHEMBL15510079 0.88 BACE1 (0.74) BACE1KCNH2BACE2CTSD
SCHEMBL15510228 0.87 BACE1 (0.72) BACE1KCNH2BACE2CTSD
SCHEMBL15509758 0.87 BACE1 (0.72) BACE1KCNH2BACE2CTSD

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