SCHEMBL2653584

SCHEMBL2653584

Cc1cc(OCC(C)(C)CCc2ccc(C(=O)NCCC(=O)O)cc2)cc(C)c1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GCGR P47871 13/20 0.56
PPARA Q07869 4/20 0.44
PPARD Q03181 3/20 0.43
GIPR P48546 2/20 0.42
GCG P01275 3/20 0.42
CHRM5 P08912 1/20 0.42
GLP1R P43220 1/20 0.42
PPARG P37231 2/20 0.41

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
SCHEMBL2654727 0.95 GCGR (0.55) GCGRPPARAPPARDGIPRGCG
SCHEMBL2655611 0.93 GCGR (0.60) GCGRGIPR
SCHEMBL2655103 0.92 GCGR (0.47) GCGRPPARAPPARDPPARG
SCHEMBL2655300 0.91 GCGR (0.53) GCGRGIPRGLP1R
SCHEMBL2654661 0.89 GCGR (0.55) GCGRGIPRGCG
SCHEMBL2655085 0.88 GCGR (0.46) GCGRPPARAPPARDGIPRGCG
SCHEMBL2653639 0.88 GCGR (0.56) GCGRPPARAPPARDGIPRGCG
SCHEMBL2655868 0.87 GCGR (0.46) GCGRPPARAPPARD
SCHEMBL2654811 0.87 GCGR (0.59) GCGRGIPRGCGCHRM5GLP1R
SCHEMBL2654191 0.87 PPARD (0.42) GCGRPPARAPPARDPPARG

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