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SCHEMBL4615508

SCHEMBL4615508

N#Cc1ccc(CN(C2CC(F)(F)CCNC2=O)S(=O)(=O)c2ccc(Cl)cc2)c(F)c1.O=C1NCCC(F)(F)CC1NS(=O)(=O)c1ccc(Cl)cc1

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PSEN1 P49768 20/20 0.65
▸ PSEN2 P49810 20/20 0.65
▸ APH1B Q8WW43 20/20 0.65
▸ NCSTN Q92542 20/20 0.65
▸ APH1A Q96BI3 20/20 0.65
▸ PSENEN Q9NZ42 20/20 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
SCHEMBL4615506 1.00 PSEN1 (0.65) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3388386 0.92 PSEN1 (0.75) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3388381 0.92 PSEN1 (0.75) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3389040 0.79 PSEN1 (0.73) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3389034 0.79 PSEN1 (0.73) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3391820 0.79 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3391815 0.79 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5566949 0.79 PSEN1 (0.73) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5566950 0.79 PSEN1 (0.73) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3386805 0.78 PSEN1 (0.77) 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
EP-1915345-A1 FLUORO SUBSTITUTED 2-OXO AZEPAN DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-04-30 — — EP disclosed
WO-2007020190-A1 FLUORO SUBSTITUTED 2-OXO AZEPAN DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-02-22 — — WO disclosed