SCHEMBL2657098

SCHEMBL2657098

CCc1ccc(-c2c(C)cc(OCC(C)CCc3ccc(C(=O)NCCC(=O)O)cc3)cc2C)cc1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GCGR P47871 14/20 0.49
GCG P01275 4/20 0.42
HRH3 Q9Y5N1 1/20 0.40
GIPR P48546 3/20 0.40
FFAR1 O14842 1/20 0.39

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
SCHEMBL2655144 0.93 GCGR (0.49) GCGRGCGFFAR1
SCHEMBL2653970 0.92 GCGR (0.49) GCGRGCGGIPR
SCHEMBL2655024 0.92 GCGR (0.51) GCGRGCGHRH3FFAR1
SCHEMBL2653405 0.92 GCGR (0.53) GCGRGCGGIPR
SCHEMBL2653418 0.92 GCGR (0.41) GCGRGCG
SCHEMBL2655617 0.91 GCGR (0.61) GCGR
SCHEMBL2656188 0.91 GCGR (0.52) GCGRGIPR
SCHEMBL2654697 0.90 GCGR (0.55) GCGRGCGGIPR
SCHEMBL2655038 0.85 GCGR (0.39) GCGRGCGFFAR1
SCHEMBL2653577 0.83 GCGR (0.51) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1758853-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2007-03-07 EP claimed
WO-2005123668-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2005-12-29 WO claimed
EP-1758853-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2007-03-07 EP disclosed
WO-2005123668-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2005-12-29 WO disclosed