SCHEMBL13656048

SCHEMBL13656048

CCCCNC(=O)C(CC(=O)NCCNCCN)NC(C)=O

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SIRT6 Q8N6T7 1/20 0.55
▸ SIRT1 Q96EB6 1/20 0.55
▸ GRIA1 P42261 9/20 0.45
▸ CHRNB2 P17787 3/20 0.42
▸ CHRNB4 P30926 3/20 0.42
▸ CHRNA3 P32297 3/20 0.42
▸ CHRNA4 P43681 3/20 0.42
▸ GRIN1 Q05586 2/20 0.42
▸ GRIN2A Q12879 2/20 0.42
▸ GRM1 Q13255 2/20 0.42
▸ CHRNA1 P02708 1/20 0.42
▸ CHRNG P07510 1/20 0.42
▸ CHRNB1 P11230 1/20 0.42
▸ CHRND Q07001 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
SCHEMBL13656044 0.86 SIRT6 (0.43) SIRT6SIRT1GRIA1GRIN1GRIN2A
SCHEMBL22929127 0.81 DPP7 (0.55) SIRT6SIRT1GRIA1CHRNB2CHRNB4
SCHEMBL16328504 0.76 RRM1 (0.62) SIRT6SIRT1
SCHEMBL16328488 0.75 SIRT6 (0.34) SIRT6SIRT1GRIA1
SCHEMBL16328487 0.75 SIRT6 (0.34) SIRT6SIRT1GRIA1
SCHEMBL16328489 0.75 SIRT6 (0.34) SIRT6SIRT1GRIA1
SCHEMBL16328495 0.75 SIRT6 (0.34) SIRT6SIRT1GRIA1
SCHEMBL14253094 0.75 SIRT6 (0.59) SIRT6SIRT1
SCHEMBL13043699 0.74 DPP7 (0.36) SIRT6SIRT1GRIA1CHRNB2CHRNB4
SCHEMBL20511452 0.74 DPP7 (0.40) SIRT6SIRT1GRIA1CHRNB2CHRNB4

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
US-20090258416-A1 POLYMER MICELLE COMPLEX INCLUDING NUCLEIC ACID THE UNIVERSITY OF TOKYO (JP) 2009-10-15 — — US disclosed
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