SCHEMBL6853609

SCHEMBL6853609

COc1cc(C(=O)NCCc2ccccc2C(F)(F)F)ccc1-n1cnc(C)c1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 11/20 0.65
PSEN2 P49810 11/20 0.65
APH1B Q8WW43 11/20 0.65
NCSTN Q92542 11/20 0.65
APH1A Q96BI3 11/20 0.65
PSENEN Q9NZ42 11/20 0.65
ROCK2 O75116 3/20 0.49
ROCK1 Q13464 3/20 0.49
EPHX2 P34913 2/20 0.47
POLB P06746 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
HTT P42858 1/20 0.46
NR2E1 Q9Y466 1/20 0.45
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
MAPT P10636 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
SCHEMBL758946 0.86 PSEN1 (0.74) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL758647 0.86 PSEN1 (0.67) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL758302 0.85 PSEN1 (0.70) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL759041 0.83 PSEN1 (0.84) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL756690 0.82 PSEN1 (0.69) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL756360 0.81 PSEN1 (0.67) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6852566 0.81 PSEN1 (0.73) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6853837 0.80 PSEN1 (0.73) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL761534 0.80 PSEN1 (0.72) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL760988 0.80 PSEN1 (0.59) 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