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SCHEMBL6853598

SCHEMBL6853598

COc1cc(C(=O)NCC2CCN(c3cccc(C(F)(F)F)c3)CC2)ccc1-n1cnc(C)c1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PSEN1 P49768 13/20 0.67
▸ PSEN2 P49810 13/20 0.67
▸ APH1B Q8WW43 13/20 0.67
▸ NCSTN Q92542 13/20 0.67
▸ APH1A Q96BI3 13/20 0.67
▸ PSENEN Q9NZ42 13/20 0.67
▸ F10 P00742 6/20 0.46
▸ KCNH2 Q12809 1/20 0.45
▸ TP53 P04637 1/20 0.44

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
SCHEMBL6853452 0.91 PSEN1 (0.66) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6852462 0.83 PSEN1 (0.60) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6853949 0.83 PSEN1 (0.71) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL761094 0.82 PSEN1 (0.65) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL759619 0.81 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6852563 0.80 PSEN1 (0.60) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6852864 0.80 PSEN1 (0.58) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6854971 0.80 PSEN1 (0.63) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL759041 0.79 PSEN1 (0.84) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6853736 0.78 PSEN1 (0.56) 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