SCHEMBL7196020

SCHEMBL7196020

CN1C(=O)C(NC(=O)[C@H](Cc2ccc(F)c(F)c2)c2ccc(F)cc2)N=C(c2ccc3c(c2)C(=O)CCC3)c2ccccc21

nearest known ligand 0.72

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 17/20 0.72
PSEN2 P49810 17/20 0.72
APH1B Q8WW43 17/20 0.72
NCSTN Q92542 17/20 0.72
APH1A Q96BI3 17/20 0.72
PSENEN Q9NZ42 17/20 0.72
NOTCH1 P46531 1/20 0.49
NOTCH3 Q9UM47 1/20 0.49
SCN9A Q15858 1/20 0.49
CCKBR P32239 1/20 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
SCHEMBL6004975 0.87 PSEN1 (0.67) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6005868 0.87 PSEN1 (0.67) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6005317 0.87 PSEN1 (0.69) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6003731 0.85 PSEN1 (0.80) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6005417 0.84 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6005660 0.82 PSEN1 (0.81) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6005326 0.80 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7097812 0.79 CCKBR (0.61) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6005896 0.78 PSEN1 (0.75) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6005742 0.78 PSEN1 (0.79) 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-1294702-A1 BENZODIAZEPINE DERIVATIVES AS APP MODULATORS MERCK SHARP & DOHME LTD. (GB) 2003-03-26 EP disclosed
WO-2001090084-A1 BENZODIAZEPINE DERIVATIVES AS APP MODULATORS MERCK SHARP & DOHME LIMITED (GB) 2001-11-29 WO disclosed