SCHEMBL14877696

SCHEMBL14877696

CC(C)(C)/C=C/c1cnc2c(c1)[C@]1(COC(N)=N1)c1cc(-c3cccnc3)ccc1O2

nearest known ligand 0.72

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.72
KCNH2 Q12809 10/20 0.64
BACE2 Q9Y5Z0 3/20 0.51
CTSD P07339 2/20 0.51
CTSE P14091 1/20 0.51

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
SCHEMBL15509832 0.86 BACE1 (0.74) BACE1KCNH2CTSD
SCHEMBL15510224 0.86 BACE1 (0.74) BACE1KCNH2CTSD
SCHEMBL2012008 0.86 BACE1 (0.74) BACE1KCNH2CTSD
SCHEMBL13401352 0.86 BACE1 (0.74) BACE1KCNH2BACE2CTSDCTSE
SCHEMBL6845279 0.86 BACE1 (0.74) BACE1KCNH2BACE2CTSDCTSE
SCHEMBL15510520 0.86 BACE1 (0.74) BACE1KCNH2BACE2CTSD
SCHEMBL15510521 0.86 BACE1 (0.74) BACE1KCNH2BACE2CTSD
SCHEMBL15510171 0.85 BACE1 (0.65) BACE1KCNH2BACE2CTSDCTSE
SCHEMBL15510168 0.85 BACE1 (0.65) BACE1KCNH2BACE2CTSDCTSE
SCHEMBL1993524 0.85 BACE1 (0.75) BACE1KCNH2BACE2CTSDCTSE

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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