SCHEMBL6310561

SCHEMBL6310561

CCOC(=O)CCNC(=O)OCCCCS(=O)(=O)c1nc2cc(Cl)c(Cl)cc2nc1C(C)C

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GLP1R P43220 10/20 0.49
PTPN7 P35236 1/20 0.34
KDM4E B2RXH2 3/20 0.32
ALDH1A1 P00352 3/20 0.32
HPGD P15428 2/20 0.32
HTT P42858 2/20 0.32
HSD17B10 Q99714 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
MAPT P10636 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TNF P01375 1/20 0.32
LMNA P02545 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TOP2A P11388 1/20 0.31
MAPK1 P28482 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL6311892 0.66 HPGD (0.45) GLP1RKDM4EALDH1A1HPGDHSD17B10
SCHEMBL6305816 0.65 GLP1R (0.73) GLP1RALDH1A1KMT2AMAPTSMN1; SMN2
SCHEMBL6311017 0.65 GLP1R (1.00) GLP1R
SCHEMBL6311072 0.64 GLP1R (0.53) GLP1RKDM4EALDH1A1HPGDKMT2A
SCHEMBL6307427 0.62 GLP1R (1.00) GLP1R
SCHEMBL6311010 0.61 GLP1R (0.77) GLP1R
SCHEMBL1425763 0.61 GAA (0.52) ALDH1A1KMT2AL3MBTL1TOP2A
SCHEMBL6310949 0.61 GLP1R (0.73) GLP1R
SCHEMBL6304275 0.60 GLP1R (0.52) GLP1RKDM4EALDH1A1MAPTL3MBTL1
SCHEMBL11479242 0.59 GAA (0.45) ALDH1A1KMT2AL3MBTL1TOP2A

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-6927214-B1 Non-peptide GLP-1 agonists NOVO NORDISK A/S (DK) 2005-08-09 US disclosed