SCHEMBL8079167

SCHEMBL8079167

COc1cc(Nc2cc(C3CC3)cn([C@@H](C)c3ccc(S)cc3)c2=O)ccc1-n1cnc(C)c1

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 20/20 0.62
PSEN2 P49810 20/20 0.62
APH1B Q8WW43 20/20 0.62
NCSTN Q92542 20/20 0.62
APH1A Q96BI3 20/20 0.62
PSENEN Q9NZ42 20/20 0.62

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
SCHEMBL8079700 0.92 PSEN1 (0.73) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL15214730 0.90 PSEN1 (0.61) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8083890 0.90 PSEN1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12738973 0.89 PSEN1 (0.64) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12738569 0.88 PSEN1 (0.61) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12738974 0.87 PSEN1 (0.66) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8079085 0.86 PSEN1 (0.61) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12738093 0.85 PSEN1 (0.63) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8075200 0.85 PSEN1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8079165 0.85 PSEN1 (0.52) 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