SCHEMBL2655009

SCHEMBL2655009

CC(CCc1ccc(C(=O)NCCC(=O)O)cc1)COc1ccc(-c2ccc(C(F)(F)F)cc2)c(C=NOC(C)(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GCGR P47871 17/20 0.40
FFAR1 O14842 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
GIPR P48546 3/20 0.39
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
GCG P01275 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
SCHEMBL2654973 0.94 ROCK2 (0.38) GCGRFFAR1FFAR4GIPRPPARD
SCHEMBL2654060 0.92 GCGR (0.40) GCGRGIPRGCG
SCHEMBL2654589 0.84 GCGR (0.48) GCGRFFAR1FFAR4GIPRPPARD
SCHEMBL2653538 0.83 GCGR (0.51) GCGRFFAR1FFAR4GIPRGCG
SCHEMBL2654147 0.83 FFAR1 (0.48) GCGRFFAR1FFAR4GIPRPPARD
SCHEMBL2667228 0.82 GCGR (0.56) GCGRGIPRGCG
SCHEMBL1765826 0.82 GCGR (0.56) GCGRGIPRGCG
SCHEMBL2656415 0.82 GCG (0.41) GCGRGIPRGCG
SCHEMBL2654507 0.82 GCGR (0.47) GCGRGIPR
SCHEMBL2654049 0.80 GCGR (0.47) GCGRGIPRPPARDPPARA

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