SCHEMBL4427872

SCHEMBL4427872

CN1C(=O)[C@@H](NC(=O)C(C)(C)C(=O)NCCC(F)(F)C(F)(F)F)c2ccccc2-c2ccccc21

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 20/20 0.61
PSEN2 P49810 20/20 0.61
APH1B Q8WW43 20/20 0.61
NCSTN Q92542 20/20 0.61
APH1A Q96BI3 20/20 0.61
PSENEN Q9NZ42 20/20 0.61

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
SCHEMBL4427195 0.92 PSEN1 (0.61) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4428617 0.92 PSEN1 (0.61) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4436454 0.92 PSEN1 (0.61) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4430365 0.90 PSEN1 (0.71) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4436527 0.90 PSEN1 (0.71) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4425895 0.86 PSEN1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4427133 0.86 PSEN1 (0.63) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4435923 0.84 PSEN1 (0.71) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4429142 0.84 PSEN1 (0.86) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20271682 0.82 PSEN1 (0.71) 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
EP-1711470-B1 MALONAMIDE DERIVATIVES BLOCKING THE ACTIVTIY OF GAMMA-SECRETASE HOFFMANN LA ROCHE (CH) 2009-04-15 EP disclosed