SCHEMBL7880692

SCHEMBL7880692

Cc1cn(-c2ccc(Nc3cccc4c3nc(N3CCC(F)(F)CC3)n4C)cc2C=O)cn1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 20/20 0.52
PSEN2 P49810 20/20 0.52
APH1B Q8WW43 20/20 0.52
NCSTN Q92542 20/20 0.52
APH1A Q96BI3 20/20 0.52
PSENEN Q9NZ42 20/20 0.52
KCNH2 Q12809 4/20 0.49
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL417336 0.86 PSEN1 (0.71) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL10153338 0.86 PSEN1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL10153300 0.80 PSEN1 (0.79) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL10153303 0.78 PSEN1 (0.76) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL412631 0.76 PSEN1 (0.76) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL10153299 0.76 PSEN1 (0.75) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL10153323 0.74 PSEN1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL416180 0.72 PSEN1 (0.73) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL416042 0.69 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL415419 0.69 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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