SCHEMBL3796554

SCHEMBL3796554

CCOc1cc(C)c(Nc2nc3c(Nc4ccc(-n5cnc(C)c5)c(OC)c4)cccc3n2C)cc1C(C)C

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 20/20 0.67
PSEN2 P49810 20/20 0.67
APH1B Q8WW43 20/20 0.67
NCSTN Q92542 20/20 0.67
APH1A Q96BI3 20/20 0.67
PSENEN Q9NZ42 20/20 0.67
KCNH2 Q12809 1/20 0.60

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
SCHEMBL2117819 0.81 PSEN1 (0.67) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL416042 0.80 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL414677 0.80 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL415200 0.79 PSEN1 (0.77) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL411542 0.78 PSEN1 (0.75) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL959091 0.78 PSEN1 (0.70) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL412777 0.78 PSEN1 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL412557 0.77 PSEN1 (0.80) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL412631 0.77 PSEN1 (0.76) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL414537 0.77 PSEN1 (0.49) 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-2398793-A1 NOVEL SUBSTITUTED BENZOXAZOLE, BENZIMIDAZOLE, OXAZOLOPYRIDINE AND IMIDAZOPYRIDINE DERIVATIVES AS GAMMA SECRETASE MODULATORS Ortho-McNeil-Janssen Pharmaceuticals, Inc. (US) 2011-12-28 EP disclosed
WO-2010094647-A1 NOVEL SUBSTITUTED BENZOXAZOLE, BENZIMIDAZOLE, OXAZOLOPYRIDINE AND IMIDAZOPYRIDINE DERIVATIVES AS GAMMA SECRETASE MODULATORS ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC (US) 2010-08-26 WO disclosed