SCHEMBL15510029

SCHEMBL15510029

CC1(COc2cc(F)c3c(c2)[C@]2(COC(N)=N2)c2cc(-c4cccnc4)ccc2O3)COC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 1.00
KCNH2 Q12809 5/20 0.61
CTSD P07339 2/20 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
SCHEMBL15509707 0.94 BACE1 (1.00) BACE1KCNH2CTSD
SCHEMBL15510614 0.94 BACE1 (1.00) BACE1KCNH2CTSD
SCHEMBL15418839 0.93 BACE1 (0.87) BACE1KCNH2
SCHEMBL15418661 0.93 BACE1 (0.87) BACE1KCNH2
SCHEMBL2019058 0.90 BACE1 (1.00) BACE1KCNH2CTSD
SCHEMBL2019867 0.88 BACE1 (1.00) BACE1KCNH2CTSD
SCHEMBL14877676 0.88 BACE1 (0.80) BACE1KCNH2CTSD
SCHEMBL14878059 0.87 BACE1 (0.78) BACE1KCNH2CTSD
SCHEMBL14877619 0.86 BACE1 (1.00) BACE1KCNH2CTSD
SCHEMBL15509692 0.85 BACE1 (0.84) 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 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