SCHEMBL6853985

SCHEMBL6853985

CC[C@@H](C[C@H](C)N(C)Cc1cccc(C(F)(F)F)c1)NC(=O)c1ccc(-n2cnc(C)c2)c(OC)c1

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 18/20 0.66
PSEN2 P49810 18/20 0.66
APH1B Q8WW43 18/20 0.66
NCSTN Q92542 18/20 0.66
APH1A Q96BI3 18/20 0.66
PSENEN Q9NZ42 18/20 0.66
KCNH2 Q12809 3/20 0.48
ROCK2 O75116 2/20 0.41
ROCK1 Q13464 2/20 0.41

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
SCHEMBL755908 0.81 PSEN1 (0.71) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL759619 0.80 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL759041 0.79 PSEN1 (0.84) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL759006 0.76 PSEN1 (0.64) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL761508 0.75 PSEN1 (0.72) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL759555 0.73 PSEN1 (0.71) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL757596 0.72 PSEN1 (0.63) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6853933 0.72 PSEN1 (0.67) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6854642 0.72 PSEN1 (0.67) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL759732 0.72 PSEN1 (0.66) 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-2011059048-A1 NOVEL AMIDE DERIVATIVE 大日本住友製薬株式会社 (JP) 2011-05-19 WO disclosed