SCHEMBL7094836

SCHEMBL7094836

COc1ccc(C2=NC(NC(=O)[C@@H](C)Cc3ccc(F)c(F)c3)C(=O)N(C)c3ccccc32)cc1

nearest known ligand 0.80

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 18/20 0.80
PSEN2 P49810 18/20 0.80
APH1B Q8WW43 18/20 0.80
NCSTN Q92542 18/20 0.80
APH1A Q96BI3 18/20 0.80
PSENEN Q9NZ42 18/20 0.80
CCKBR P32239 1/20 0.59
GSAP A4D1B5 1/20 0.56

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
SCHEMBL6003368 0.92 PSEN1 (0.73) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6003819 0.92 PSEN1 (0.73) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6003363 0.92 PSEN1 (0.73) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7094854 0.92 PSEN1 (0.73) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6003719 0.92 PSEN1 (0.85) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6005612 0.92 PSEN1 (0.77) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6006169 0.89 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6006534 0.89 PSEN1 (0.76) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6005214 0.85 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6005079 0.85 PSEN1 (1.00) 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