SCHEMBL7919965

SCHEMBL7919965

COC(C)(C)C#Cc1ccc2c(c1)C1(COC(N)=N1)c1cc(C#CC(C)(OC)OC)ccc1O2

nearest known ligand 0.75

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.75
KCNH2 Q12809 5/20 0.75
BACE2 Q9Y5Z0 2/20 0.57
CTSD P07339 6/20 0.46

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
SCHEMBL2013419 0.96 BACE1 (0.80) BACE1KCNH2BACE2CTSD
SCHEMBL15510293 0.86 BACE1 (0.74) BACE1KCNH2BACE2CTSD
SCHEMBL2013214 0.86 BACE1 (1.00) BACE1KCNH2BACE2CTSD
SCHEMBL15510394 0.86 BACE1 (1.00) BACE1KCNH2BACE2CTSD
SCHEMBL2013220 0.86 BACE1 (1.00) BACE1KCNH2BACE2CTSD
SCHEMBL15509792 0.85 BACE1 (0.79) BACE1KCNH2BACE2CTSD
SCHEMBL15510628 0.84 BACE1 (0.65) BACE1KCNH2BACE2CTSD
SCHEMBL15509733 0.84 BACE1 (0.82) BACE1KCNH2BACE2CTSD
SCHEMBL2013513 0.83 BACE1 (0.66) BACE1KCNH2BACE2CTSD
SCHEMBL1998606 0.83 BACE1 (0.80) 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
WO-2010030954-A1 SPIRO-TETRACYCLIC RING COMPOUNDS AS BETASECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2010-03-18 WO disclosed