SCHEMBL6853452

SCHEMBL6853452

COc1cc(C(=O)NCC2CCCN(c3cccc(C(F)(F)F)c3)C2)ccc1-n1cnc(C)c1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 17/20 0.66
PSEN2 P49810 17/20 0.66
APH1B Q8WW43 17/20 0.66
NCSTN Q92542 17/20 0.66
APH1A Q96BI3 17/20 0.66
PSENEN Q9NZ42 17/20 0.66
PPARA Q07869 1/20 0.45
ALDH1A1 P00352 1/20 0.45
KCNH2 Q12809 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
ROCK2 O75116 1/20 0.42
ROCK1 Q13464 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
SCHEMBL6853598 0.91 PSEN1 (0.67) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6852462 0.88 PSEN1 (0.60) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6853949 0.87 PSEN1 (0.71) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL761094 0.81 PSEN1 (0.65) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL759619 0.80 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6853933 0.78 PSEN1 (0.67) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6854642 0.78 PSEN1 (0.67) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6853449 0.77 PSEN1 (0.60) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6852561 0.77 PSEN1 (0.57) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL759041 0.77 PSEN1 (0.84) 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