SCHEMBL8077253

SCHEMBL8077253

COc1cc(C(O)c2cc(C)cn(C(C)c3ccc(F)cc3F)c2=O)ccc1-n1cnc(C)c1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 20/20 0.50
PSEN2 P49810 20/20 0.50
APH1B Q8WW43 20/20 0.50
NCSTN Q92542 20/20 0.50
APH1A Q96BI3 20/20 0.50
PSENEN Q9NZ42 20/20 0.50
KCNH2 Q12809 1/20 0.45

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
SCHEMBL8077251 0.93 PSEN1 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12738583 0.92 PSEN1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12738822 0.86 PSEN1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8080930 0.85 PSEN1 (0.60) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8085612 0.83 PSEN1 (0.57) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8084052 0.83 PSEN1 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8082175 0.83 PSEN1 (0.57) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8083903 0.82 PSEN1 (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8080933 0.82 PSEN1 (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12712834 0.82 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A

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
WO-2009032277-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION (US) 2009-03-12 WO disclosed