SCHEMBL2651071

SCHEMBL2651071

CC(C)c1nc(C(C)C)c(C(=O)O)c(-c2ccc(F)cc2)c1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GCGR P47871 18/20 0.56
FABP3 P05413 1/20 0.49
FABP4 P15090 1/20 0.49
FABP5 Q01469 1/20 0.49
DPP4 P27487 1/20 0.45
DPP8 Q6V1X1 1/20 0.45
DPP9 Q86TI2 1/20 0.45

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
SCHEMBL5098308 0.92 GCGR (0.50) GCGRFABP3FABP4FABP5DPP4
SCHEMBL27293870 0.91 GCGR (0.49) GCGRFABP3FABP4FABP5DPP4
SCHEMBL9870958 0.90 GCGR (0.72) GCGRFABP3FABP4FABP5DPP4
SCHEMBL9870499 0.86 GCGR (0.47) GCGRFABP3FABP4FABP5DPP4
SCHEMBL8876019 0.84 FABP3 (0.51) GCGRFABP3FABP4FABP5
SCHEMBL8875946 0.84 FABP3 (0.60) GCGRFABP3FABP4FABP5
SCHEMBL8949663 0.84 GCGR (0.61) GCGRFABP3FABP4FABP5DPP4
SCHEMBL8879687 0.83 FABP3 (0.50) GCGRFABP3FABP4FABP5
SCHEMBL6565362 0.83 GCGR (0.79) GCGR
SCHEMBL5098490 0.83 GCGR (0.46) GCGRFABP3FABP4FABP5DPP4

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 5 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
CN-1274719-A Process for preparation of substituted pyridine compound BAYER AG (DE) 2000-11-29 CN disclosed
CN-1055684-C Process for preparing substituted pyridine compounds BAYER AG (DE) 2000-08-23 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