SCHEMBL2800380

SCHEMBL2800380

COc1cc(Nc2cc(C(=O)O)n(Cc3cc(F)c(F)c(F)c3)n2)ccc1-n1cnc(C)c1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 20/20 0.48
PSEN2 P49810 20/20 0.48
APH1B Q8WW43 20/20 0.48
NCSTN Q92542 20/20 0.48
APH1A Q96BI3 20/20 0.48
PSENEN Q9NZ42 20/20 0.48

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
SCHEMBL3323227 0.93 PSEN1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3321049 0.85 PSEN1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3323542 0.82 PSEN1 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2360162 0.81 PSEN1 (0.55) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2360177 0.78 PSEN1 (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2359500 0.78 PSEN1 (0.63) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13397863 0.76 PSEN1 (0.58) PSEN1PSEN2APH1BNCSTNAPH1A
Trifluoroacetic Acid SCHEMBL3319212 0.73 PSEN1 (0.58) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2360149 0.72 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4102811 0.72 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010052199-A1 HETEROCYCLIC GAMMA SECRETASE MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2010-05-14 WO claimed
WO-2010052199-A1 HETEROCYCLIC GAMMA SECRETASE MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2010-05-14 WO disclosed