SCHEMBL2650109

SCHEMBL2650109

CCc1nc(CC)c(CO)c(-c2ccccc2)c1CC

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GCGR P47871 4/20 0.73
DHFR P00374 1/20 0.46
HEXA P06865 1/20 0.46
HEXB P07686 1/20 0.46
USP7 Q93009 2/20 0.41
ADORA3 P0DMS8 2/20 0.40
ESR1 P03372 2/20 0.40
ESR2 Q92731 2/20 0.40
KDM4E B2RXH2 1/20 0.39
FABP3 P05413 1/20 0.39
FABP4 P15090 1/20 0.39
FABP5 Q01469 1/20 0.39
DPP4 P27487 2/20 0.38
DPP9 Q86TI2 2/20 0.38
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37

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
SCHEMBL2649385 0.85 GCGR (1.00) GCGRDHFR
SCHEMBL2647195 0.83 GCGR (0.60) GCGRDHFRHEXAHEXBUSP7
SCHEMBL2647949 0.81 GCGR (0.58) GCGRDHFRHEXAHEXBUSP7
SCHEMBL2646809 0.77 GCGR (0.57) GCGRDHFRHEXAHEXBUSP7
SCHEMBL2646808 0.77 GCGR (0.57) GCGRDHFRHEXAHEXBUSP7
SCHEMBL2647810 0.76 GCGR (1.00) GCGR
SCHEMBL12679970 0.74 GCGR (0.52) GCGR
SCHEMBL8878718 0.74 GCGR (0.54) GCGR
SCHEMBL2663555 0.73 GCGR (0.50) GCGRDHFRHEXAHEXBADORA3
SCHEMBL10320031 0.72 GCGR (0.50) 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