SCHEMBL6854342

SCHEMBL6854342

COc1cc(C(=O)NCc2ccc(F)c(F)c2)ccc1-n1cnc(C)c1

nearest known ligand 0.71

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 12/20 0.71
PSEN2 P49810 12/20 0.71
APH1B Q8WW43 12/20 0.71
NCSTN Q92542 12/20 0.71
APH1A Q96BI3 12/20 0.71
PSENEN Q9NZ42 12/20 0.71
ROCK2 O75116 5/20 0.57
ROCK1 Q13464 5/20 0.57
PDE10A Q9Y233 1/20 0.46

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
SCHEMBL758857 0.92 PSEN1 (0.70) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6852715 0.90 PSEN1 (0.71) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL758687 0.90 PSEN1 (0.74) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL761524 0.90 PSEN1 (0.74) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL759811 0.86 PSEN1 (0.71) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6854886 0.86 PSEN1 (0.70) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL757740 0.86 PSEN1 (0.78) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6853529 0.86 PSEN1 (0.75) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6853565 0.85 PSEN1 (0.80) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6853569 0.85 PSEN1 (0.71) 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