SCHEMBL1993949

SCHEMBL1993949

CC(=O)C[C@H](O)c1ccc2c(c1)C1(COC(N)=N1)c1cc(-c3cccnc3)ccc1O2

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.60
KCNH2 Q12809 3/20 0.60
CTSD P07339 7/20 0.53

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
SCHEMBL2371170 0.84 BACE1 (0.63) BACE1KCNH2CTSD
SCHEMBL2371178 0.84 BACE1 (0.63) BACE1KCNH2CTSD
SCHEMBL1998208 0.83 BACE1 (0.73) BACE1KCNH2CTSD
SCHEMBL2001459 0.82 BACE1 (0.75) BACE1KCNH2CTSD
SCHEMBL2001454 0.82 BACE1 (0.75) BACE1KCNH2CTSD
SCHEMBL2000622 0.80 BACE1 (0.66) BACE1KCNH2CTSD
SCHEMBL2000626 0.80 BACE1 (0.66) BACE1KCNH2CTSD
SCHEMBL15510367 0.80 BACE1 (0.62) BACE1KCNH2CTSD
SCHEMBL15510242 0.80 BACE1 (0.68) BACE1KCNH2CTSD
SCHEMBL1993419 0.80 BACE1 (0.70) BACE1KCNH2CTSD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2547685-A1 SPIRO-TETRACYCLIC RING COMPOUNDS AS BETA - SECRETASE MODULATORS Amgen Inc. (US) 2013-01-23 EP disclosed
WO-2011115938-A1 SPIRO-TETRACYCLIC RING COMPOUNDS AS BETA - SECRETASE MODULATORS AMGEN INC. (US) 2011-09-22 WO disclosed
EP-2328903-A1 SPIRO-TETRACYCLIC RING COMPOUNDS AS BETASECRETASE MODULATORS AND METHODS OF USE Amgen Inc. (US) 2011-06-08 EP disclosed
WO-2010030954-A1 SPIRO-TETRACYCLIC RING COMPOUNDS AS BETASECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2010-03-18 WO disclosed