SCHEMBL6853701

SCHEMBL6853701

COc1cc(C(=O)NC2CCCN(C(=O)CCc3ccccc3)C2)ccc1-n1cnc(C)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 11/20 0.56
PSEN2 P49810 11/20 0.56
APH1B Q8WW43 11/20 0.56
NCSTN Q92542 11/20 0.56
APH1A Q96BI3 11/20 0.56
PSENEN Q9NZ42 11/20 0.56
GFER P55789 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
KDM6B O15054 1/20 0.42
KDM5C P41229 1/20 0.42
KDM4C Q9H3R0 1/20 0.42
KDM2A Q9Y2K7 1/20 0.42
KDM3A Q9Y4C1 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
SCHEMBL6853575 0.93 PSEN1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6853596 0.92 PSEN1 (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6853432 0.90 PSEN1 (0.59) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6852740 0.89 PSEN1 (0.59) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6853369 0.87 PSEN1 (0.60) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6853707 0.87 PSEN1 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6853635 0.86 PSEN1 (0.57) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6853884 0.86 PSEN1 (0.59) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6853634 0.86 PSEN1 (0.57) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6853704 0.86 PSEN1 (0.54) 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