SCHEMBL4045317

SCHEMBL4045317

Cn1nc(-c2ccc3c(c2)CC2CCC(C3)C23CN(CC(F)(F)F)S(=O)(=O)N3)cc1-c1cccc(F)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 20/20 1.00
PSEN2 P49810 20/20 1.00
APH1B Q8WW43 20/20 1.00
NCSTN Q92542 20/20 1.00
APH1A Q96BI3 20/20 1.00
PSENEN Q9NZ42 20/20 1.00

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
SCHEMBL14263814 1.00 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL11982548 0.92 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6357107 0.92 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4045185 0.92 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4980464 0.92 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14263819 0.92 PSEN1 (0.87) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4044271 0.92 PSEN1 (0.87) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4980415 0.90 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4049711 0.89 PSEN1 (0.88) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4049493 0.89 PSEN1 (0.87) 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-1503998-B1 HETEROARYL SUBSTITUTED SPIROCYCLIC SUFAMIDES FOR INHIBITION OF GAMMA SECRETASE MERCK SHARP & DOHME (GB) 2009-07-01 EP disclosed
US-7282513-B2 Heteroaryl substituted spirocyclic sulfamides for inhibition of gamma secretase MERCK SHARP & DOHME LIMITED (GB) 2007-10-16 US disclosed