SCHEMBL15510026

SCHEMBL15510026

COC1CN(c2ccc3c(c2)[C@]2(COC(N)=N2)c2cc(-c4cccnc4)ccc2O3)C1

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.61
KCNH2 Q12809 2/20 0.61
CTSD P07339 6/20 0.54

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
SCHEMBL15509565 0.92 BACE1 (0.61) BACE1KCNH2CTSD
SCHEMBL14877615 0.91 BACE1 (0.58) BACE1KCNH2CTSD
SCHEMBL15509539 0.91 BACE1 (0.60) BACE1KCNH2CTSD
SCHEMBL15509628 0.90 BACE1 (0.62) BACE1KCNH2CTSD
SCHEMBL2010760 0.89 BACE1 (0.59) BACE1KCNH2CTSD
SCHEMBL1998208 0.84 BACE1 (0.73) BACE1KCNH2CTSD
SCHEMBL3277808 0.84 BACE1 (0.61) BACE1KCNH2CTSD
SCHEMBL15509878 0.84 BACE1 (0.81) BACE1KCNH2CTSD
SCHEMBL15510321 0.82 BACE1 (0.56) BACE1KCNH2CTSD
SCHEMBL15509858 0.82 BACE1 (0.56) 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