SCHEMBL14028952

SCHEMBL14028952

CCC(C)C(NC(=O)C(NC(=O)C(CC(N)=O)NC(C)=O)C(C)C)C(=O)NC(CCCCN)C(C)=O

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FURIN P09958 5/20 0.47
PCSK6 P29122 1/20 0.47
GRIN2D O15399 1/20 0.45
GRIN3B O60391 1/20 0.45
GRIN1 Q05586 1/20 0.45
GRIN2A Q12879 1/20 0.45
GRIN2B Q13224 1/20 0.45
GRIN2C Q14957 1/20 0.45
GRIN3A Q8TCU5 1/20 0.45
SIRT6 Q8N6T7 1/20 0.41
SIRT1 Q96EB6 1/20 0.41
PTPN1 P18031 1/20 0.41
CTSL P07711 1/20 0.41
F2 P00734 1/20 0.39

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
SCHEMBL29974539 0.89 GRIN2D (0.51) FURINPCSK6GRIN2DGRIN3BGRIN1
SCHEMBL29974717 0.89 GRIN2D (0.51) FURINPCSK6GRIN2DGRIN3BGRIN1
SCHEMBL29974325 0.89 GRIN2D (0.51) FURINPCSK6GRIN2DGRIN3BGRIN1
SCHEMBL29510734 0.89 FURIN (0.52) FURINPCSK6SIRT6SIRT1CTSL
SCHEMBL29510727 0.87 FURIN (0.54) FURINPCSK6GRIN2DGRIN3BGRIN1
SCHEMBL29510589 0.87 FURIN (0.54) FURINPCSK6GRIN2DGRIN3BGRIN1
SCHEMBL29510666 0.85 GNPAT (0.52) FURINPCSK6SIRT6SIRT1CTSL
SCHEMBL38660722 0.84 GRIN2D (0.57) FURINPCSK6GRIN2DGRIN3BGRIN1
SCHEMBL38659567 0.84 GRIN2D (0.57) FURINPCSK6GRIN2DGRIN3BGRIN1
SCHEMBL7865517 0.82 GRIN2D (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7439225-B2 Substances K01-B0171 and process for producing the same THE KITASATO INSTITUTE (JP) 2008-10-21 US disclosed
US-7439225-B2 Substances K01-B0171 and process for producing the same THE KITASATO INSTITUTE (JP) 2008-10-21 US disclosed