SCHEMBL6852599

SCHEMBL6852599

COc1cc(C(=O)NC2CCNC2)ccc1-n1cnc(C)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 12/20 0.56
PSEN2 P49810 12/20 0.56
APH1B Q8WW43 12/20 0.56
NCSTN Q92542 12/20 0.56
APH1A Q96BI3 12/20 0.56
PSENEN Q9NZ42 12/20 0.56
MAPK1 P28482 1/20 0.51
OPRK1 P41145 1/20 0.51
SUV39H2 Q9H5I1 3/20 0.49
LMNA P02545 1/20 0.45
THRB P10828 1/20 0.45
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
SUV39H1 O43463 1/20 0.43
PRMT1 Q99873 1/20 0.43
SMYD3 Q9H7B4 1/20 0.43
KCNH2 Q12809 2/20 0.43

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
SCHEMBL6852855 0.95 MAPK1 (0.58) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6854098 0.95 MAPK1 (0.58) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6852850 0.94 PSEN1 (0.58) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6854498 0.88 PSEN1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6852870 0.87 PSEN1 (0.57) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6852708 0.84 PSEN1 (0.57) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6852713 0.84 PSEN1 (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6852604 0.83 PSEN1 (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6854859 0.82 PSEN1 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6852563 0.82 PSEN1 (0.60) 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