SCHEMBL2646809

SCHEMBL2646809

CCCC=Cc1c(CC)nc(CC)c(CO)c1-c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GCGR P47871 4/20 0.57
DHFR P00374 1/20 0.37
HEXA P06865 1/20 0.37
HEXB P07686 1/20 0.37
TLR8 Q9NR97 1/20 0.33
FABP3 P05413 1/20 0.32
FABP4 P15090 1/20 0.32
FABP5 Q01469 1/20 0.32
USP7 Q93009 2/20 0.32
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
CXCR5 P32302 2/20 0.31
PDE4B Q07343 1/20 0.31
PDE4D Q08499 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
SCHEMBL2646808 1.00 GCGR (0.57) GCGRDHFRHEXAHEXBTLR8
SCHEMBL2647195 0.82 GCGR (0.60) GCGRDHFRHEXAHEXBFABP3
SCHEMBL2646745 0.81 GCGR (0.43) GCGRTLR8HDAC8CXCR5PDE4B
SCHEMBL2646746 0.81 GCGR (0.43) GCGRTLR8HDAC8CXCR5PDE4B
SCHEMBL2647949 0.80 GCGR (0.58) GCGRDHFRHEXAHEXBFABP3
SCHEMBL2647067 0.78 GCGR (0.62) GCGR
SCHEMBL2647069 0.78 GCGR (0.62) GCGR
SCHEMBL2650109 0.77 GCGR (0.73) GCGRDHFRHEXAHEXBFABP3
SCHEMBL2648434 0.76 GCGR (0.60) GCGR
SCHEMBL2647249 0.76 GCGR (0.60) GCGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6218431-B1 GLUCAGON RECEPTOR ANTAGONISTS FOR THERAPY OF DIABETES AND CONDITIONS ASSOCIATED WITH DIABETES BAYER CORPORATION 2001-04-17 US disclosed
US-6218431-B1 GLUCAGON RECEPTOR ANTAGONISTS FOR THERAPY OF DIABETES AND CONDITIONS ASSOCIATED WITH DIABETES BAYER CORPORATION 2001-04-17 US disclosed
US-6218431-B1 GLUCAGON RECEPTOR ANTAGONISTS FOR THERAPY OF DIABETES AND CONDITIONS ASSOCIATED WITH DIABETES BAYER CORPORATION 2001-04-17 US disclosed
CN-1239474-A Substituted pyridines and biphenyls as antihypercholesterolemic, antihyperlipidemic and antihyperglycemic agents BAYER AG (US) 1999-12-22 CN disclosed
EP-0934274-A1 SUBSTITUTED PYRIDINES AND BIPHENYLS AS ANTI-HYPERCHOLESTERINEMIC, ANTI-HYPERLIPOPROTEINEMIC AND ANTI-HYPERGLYCEMIC AGENTS Bayer Corporation (US) 1999-08-11 EP disclosed
WO-1998004528-A2 SUBSTITUTED PYRIDINES AND BIPHENYLS AS ANTI-HYPERCHOLESTERINEMIC, ANTI-HYPERLIPOPROTEINEMIC AND ANTI-HYPERGLYCEMIC AGENTS BAYER CORPORATION (US) 1998-02-05 WO disclosed
WO-1998004528-A2 SUBSTITUTED PYRIDINES AND BIPHENYLS AS ANTI-HYPERCHOLESTERINEMIC, ANTI-HYPERLIPOPROTEINEMIC AND ANTI-HYPERGLYCEMIC AGENTS BAYER CORPORATION (US) 1998-02-05 WO disclosed