SCHEMBL2654589

SCHEMBL2654589

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

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GCGR P47871 18/20 0.48
ADCY6 O43306 2/20 0.47
ADCY3 O60266 2/20 0.47
ADCY9 O60503 2/20 0.47
ADCY5 O95622 2/20 0.47
ADCY8 P40145 2/20 0.47
ADCY7 P51828 2/20 0.47
ADCY2 Q08462 2/20 0.47
ADCY1 Q08828 2/20 0.47
ADCY4 Q8NFM4 2/20 0.47
PPARD Q03181 1/20 0.44
FFAR1 O14842 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
GIPR P48546 1/20 0.44

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
SCHEMBL2656241 0.93 PPARD (0.42) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL2654806 0.91 GCGR (0.49) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL2653538 0.89 GCGR (0.51) GCGRFFAR1FFAR4GIPR
SCHEMBL2654147 0.89 FFAR1 (0.48) GCGRPPARDFFAR1FFAR4GIPR
SCHEMBL2656922 0.86 GCGR (0.49) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL2654507 0.86 GCGR (0.47) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL2654697 0.86 GCGR (0.55) GCGRPPARDGIPR
SCHEMBL2654049 0.86 GCGR (0.47) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL2654468 0.85 PPARD (0.51) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL2655009 0.84 GCGR (0.40) GCGRPPARDFFAR1FFAR4GIPR

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