SCHEMBL6853575

SCHEMBL6853575

COc1cc(C(=O)NC2CCCN(C(=O)CCc3cccc(C)c3)C2)ccc1-n1cnc(C)c1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 9/20 0.52
PSEN2 P49810 9/20 0.52
APH1B Q8WW43 9/20 0.52
NCSTN Q92542 9/20 0.52
APH1A Q96BI3 9/20 0.52
PSENEN Q9NZ42 9/20 0.52
GFER P55789 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
LMNA P02545 1/20 0.41
THRB P10828 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL6853701 0.93 PSEN1 (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6853596 0.93 PSEN1 (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6853707 0.93 PSEN1 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6853394 0.86 PSEN1 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6853635 0.86 PSEN1 (0.57) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6853704 0.85 PSEN1 (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6853634 0.85 PSEN1 (0.57) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6852740 0.85 PSEN1 (0.59) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6853432 0.84 PSEN1 (0.59) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6853471 0.83 PSEN1 (0.65) 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