SCHEMBL2652552

SCHEMBL2652552

CCCCCCC(c1ccc(C(=O)NCCC(=O)O)cc1)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1.CCCCCCC(c1ccc(C(=O)NCCC(=O)OC)cc1)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GCGR P47871 20/20 0.52
GIPR P48546 4/20 0.49
GLP1R P43220 2/20 0.49
GCG P01275 1/20 0.47

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
SCHEMBL2271871 0.97 GCGR (0.48) GCGRGIPRGLP1R
SCHEMBL2273243 0.97 GCGR (0.48) GCGRGIPRGLP1R
SCHEMBL2276092 0.94 GCGR (0.55) GCGRGIPRGLP1RGCG
SCHEMBL2276091 0.94 GCGR (0.55) GCGRGIPRGLP1RGCG
SCHEMBL2269762 0.87 GCGR (0.53) GCGRGIPR
SCHEMBL2270627 0.86 GCGR (0.59) GCGRGIPR
SCHEMBL2270623 0.86 GCGR (0.59) GCGRGIPR
SCHEMBL1765733 0.85 GCGR (0.54) GCGRGIPRGLP1RGCG
SCHEMBL1765515 0.84 GCGR (0.45) GCGRGIPRGLP1RGCG
SCHEMBL1765760 0.84 GCGR (0.55) GCGRGIPRGLP1RGCG

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1758859-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2007-03-07 EP disclosed
WO-2005118542-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2005-12-15 WO disclosed