SCHEMBL14877679

SCHEMBL14877679

NC1=N[C@@]2(CO1)c1cc(-c3cccnc3)ccc1Oc1cnc(N3CCCC3)cc12

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.64
CTSD P07339 10/20 0.64
KCNH2 Q12809 2/20 0.61

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
SCHEMBL15510341 0.99 BACE1 (0.63) BACE1CTSDKCNH2
SCHEMBL15509727 0.98 BACE1 (0.64) BACE1CTSDKCNH2
SCHEMBL15510021 0.93 BACE1 (0.75) BACE1CTSDKCNH2
SCHEMBL14877681 0.92 BACE1 (0.62) BACE1CTSDKCNH2
SCHEMBL15509746 0.92 BACE1 (0.62) BACE1CTSDKCNH2
SCHEMBL15509999 0.91 BACE1 (0.61) BACE1CTSDKCNH2
SCHEMBL2382324 0.91 BACE1 (0.77) BACE1CTSDKCNH2
SCHEMBL15510064 0.91 BACE1 (0.62) BACE1CTSDKCNH2
SCHEMBL15510615 0.90 BACE1 (0.63) BACE1CTSDKCNH2
SCHEMBL2517615 0.88 BACE1 (0.77) BACE1CTSDKCNH2

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