SCHEMBL2646545

SCHEMBL2646545

COC(=O)c1c(C(C)C)nc(C(C)C)c(CC=O)c1-c1ccc(F)cc1

nearest known ligand 0.77

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GCGR P47871 19/20 0.77
ESR1 P03372 1/20 0.43
HMGCR P04035 1/20 0.43
CHRM1 P11229 1/20 0.43
TBXA2R P21731 1/20 0.43
PDE4A P27815 1/20 0.43
ADRA1A P35348 1/20 0.43

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
SCHEMBL2647513 0.87 GCGR (1.00) GCGR
SCHEMBL2647230 0.86 GCGR (0.80) GCGRESR1HMGCRCHRM1TBXA2R
SCHEMBL6565362 0.85 GCGR (0.79) GCGR
SCHEMBL27525551 0.85 GCGR (0.79) GCGR
SCHEMBL2648836 0.84 GCGR (0.77) GCGRESR1HMGCRCHRM1TBXA2R
SCHEMBL9221722 0.82 GCGR (0.85) GCGRESR1HMGCRCHRM1TBXA2R
SCHEMBL5098380 0.81 GCGR (0.84) GCGRESR1HMGCRCHRM1TBXA2R
SCHEMBL9870958 0.81 GCGR (0.72) GCGRESR1HMGCRCHRM1TBXA2R
SCHEMBL8177588 0.81 GCGR (0.87) GCGR
SCHEMBL13482771 0.81 GCGR (0.71) GCGRESR1HMGCRCHRM1TBXA2R

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 4 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-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