SCHEMBL6025664

SCHEMBL6025664

CN1C(=O)C(NC(=O)C(F)COC(=O)NCCC(F)(F)C(F)F)c2ccccc2-c2ccccc21

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 20/20 0.64
PSEN2 P49810 20/20 0.64
APH1B Q8WW43 20/20 0.64
NCSTN Q92542 20/20 0.64
APH1A Q96BI3 20/20 0.64
PSENEN Q9NZ42 20/20 0.64

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
SCHEMBL6026494 0.89 PSEN1 (0.70) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5487362 0.88 PSEN1 (0.75) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8287734 0.88 PSEN1 (0.75) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5621787 0.87 PSEN1 (0.63) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5541761 0.86 PSEN1 (0.72) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5620242 0.86 PSEN1 (0.62) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4423247 0.82 PSEN1 (0.62) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL17011957 0.81 PSEN1 (0.66) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14601887 0.80 PSEN1 (0.77) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14601889 0.79 PSEN1 (0.84) 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-1673347-A1 SUBSTITUTED DIBENZO-AZEPINE AND BENZO-DIAZEPINE DERIVATIVES USEFUL AS GAMMA-SECRETASE INHIBITORS F. Hoffman-la Roche AG (CH) 2006-06-28 EP disclosed
WO-2005040126-A1 SUBSTITUTED DIBENZO-AZEPINE AND BENZO-DIAZEPINE DERIVATIVES USEFUL AS GAMMA-SECRETASE INHIBITORS F. HOFFMAN-LA ROCHE AG (CH) 2005-05-06 WO disclosed