SCHEMBL6853391

SCHEMBL6853391

COc1cc(C(=O)NC2CCCN(C(=O)c3ccc(Cl)cc3)C2)ccc1-n1cnc(C)c1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 9/20 0.60
PSEN2 P49810 9/20 0.60
APH1B Q8WW43 9/20 0.60
NCSTN Q92542 9/20 0.60
APH1A Q96BI3 9/20 0.60
PSENEN Q9NZ42 9/20 0.60
ALDH1A1 P00352 1/20 0.44
KDM5A P29375 1/20 0.44
PDE2A O00408 1/20 0.42
PROKR1 Q8TCW9 1/20 0.42
CNR1 P21554 2/20 0.42
CNR2 P34972 2/20 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
SCHEMBL6853369 0.92 PSEN1 (0.60) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6853708 0.90 PSEN1 (0.62) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6853839 0.88 PSEN1 (0.60) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6853842 0.88 PSEN1 (0.63) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6853647 0.88 PSEN1 (0.71) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6853449 0.85 PSEN1 (0.60) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6853388 0.85 PSEN1 (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6853704 0.84 PSEN1 (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6852626 0.83 PSEN1 (0.59) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6853635 0.83 PSEN1 (0.57) 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