SCHEMBL8082151

SCHEMBL8082151

COc1cc(Nc2cc(C#N)nn(Cc3ccc(F)cc3F)c2=O)ccc1-n1cnc(C)c1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 19/20 0.52
PSEN2 P49810 19/20 0.52
APH1B Q8WW43 19/20 0.52
NCSTN Q92542 19/20 0.52
APH1A Q96BI3 19/20 0.52
PSENEN Q9NZ42 19/20 0.52
KCNH2 Q12809 1/20 0.46
SCN9A Q15858 1/20 0.43

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
SCHEMBL8079728 0.85 PSEN1 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8083590 0.83 PSEN1 (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12738944 0.82 PSEN1 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8080816 0.81 PSEN1 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8083955 0.79 PSEN1 (0.58) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8087072 0.78 PSEN1 (0.59) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8083882 0.78 PSEN1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8079589 0.78 PSEN1 (0.55) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12738488 0.78 PSEN1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8075429 0.77 PSEN1 (0.56) 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