SCHEMBL15510313

SCHEMBL15510313

NC1=N[C@]2(CO1)c1cc(C3=CCOCC3)ccc1Oc1cnc(Cl)cc12

nearest known ligand 0.73

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.73
KCNH2 Q12809 2/20 0.73
CTSD P07339 9/20 0.65

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
SCHEMBL15510279 0.90 BACE1 (0.84) BACE1KCNH2CTSD
SCHEMBL2010854 0.85 BACE1 (0.70) BACE1KCNH2CTSD
SCHEMBL2018776 0.85 BACE1 (1.00) BACE1KCNH2CTSD
SCHEMBL2382527 0.84 BACE1 (0.75) BACE1KCNH2CTSD
SCHEMBL2014712 0.84 BACE1 (0.74) BACE1KCNH2CTSD
SCHEMBL15510155 0.84 BACE1 (0.77) BACE1KCNH2CTSD
SCHEMBL15509914 0.83 BACE1 (0.75) BACE1KCNH2CTSD
SCHEMBL15509753 0.83 BACE1 (0.74) BACE1KCNH2CTSD
SCHEMBL15510043 0.82 BACE1 (0.81) BACE1KCNH2CTSD
SCHEMBL15510603 0.82 BACE1 (0.89) 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