SCHEMBL6852596

SCHEMBL6852596

COc1nc(C(=O)NCc2cccc(-c3ccc(F)cc3)c2)ccc1-n1cnc(C)c1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 18/20 0.61
PSEN2 P49810 18/20 0.61
APH1B Q8WW43 18/20 0.61
NCSTN Q92542 18/20 0.61
APH1A Q96BI3 18/20 0.61
PSENEN Q9NZ42 18/20 0.61
KCNH2 Q12809 2/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
RET P07949 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
SCHEMBL6852517 0.93 PSEN1 (0.70) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6920205 0.84 PSEN1 (0.71) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL11902206 0.80 PSEN1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL11902054 0.79 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6855945 0.79 PSEN1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6920223 0.78 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6920227 0.77 PSEN1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL11902225 0.77 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6919937 0.76 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6853844 0.76 PSEN1 (1.00) 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