SCHEMBL6853837

SCHEMBL6853837

COc1cc(C(=O)NCCc2cccc(F)c2)ccc1-n1cnc(C)c1

nearest known ligand 0.73

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 10/20 0.73
PSEN2 P49810 10/20 0.73
APH1B Q8WW43 10/20 0.73
NCSTN Q92542 10/20 0.73
APH1A Q96BI3 10/20 0.73
PSENEN Q9NZ42 10/20 0.73
KCNH2 Q12809 1/20 0.54
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
ROCK2 O75116 6/20 0.47
ROCK1 Q13464 6/20 0.47
TP53 P04637 1/20 0.46
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HTR7 P34969 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
MAPT P10636 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
SCHEMBL755910 0.89 PSEN1 (0.81) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL756417 0.89 PSEN1 (0.73) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7896412 0.89 PSEN1 (0.73) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL759041 0.89 PSEN1 (0.84) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL759638 0.88 PSEN1 (0.70) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL758993 0.87 PSEN1 (0.69) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6853591 0.87 PSEN1 (0.69) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL758281 0.86 PSEN1 (0.79) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL756527 0.84 PSEN1 (0.74) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6852566 0.84 PSEN1 (0.73) 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