SCHEMBL2654049

SCHEMBL2654049

CC(CCc1ccc(C(=O)NCCC(=O)O)cc1)COc1cccc(-c2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GCGR P47871 16/20 0.47
GIPR P48546 2/20 0.43
ADCY6 O43306 2/20 0.43
ADCY3 O60266 2/20 0.43
ADCY9 O60503 2/20 0.43
ADCY5 O95622 2/20 0.43
ADCY8 P40145 2/20 0.43
ADCY7 P51828 2/20 0.43
ADCY2 Q08462 2/20 0.43
ADCY1 Q08828 2/20 0.43
ADCY4 Q8NFM4 2/20 0.43
BCL2L1 Q07817 1/20 0.43
MCL1 Q07820 1/20 0.43
PPARD Q03181 1/20 0.42
PPARA Q07869 1/20 0.42
MAPK14 Q16539 1/20 0.42

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
SCHEMBL2655364 0.92 GCGR (0.51) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL2656467 0.92 GCGR (0.52) GCGRGIPRADCY6ADCY3ADCY9
SCHEMBL2654147 0.91 FFAR1 (0.48) GCGRGIPRPPARDPPARA
SCHEMBL2655459 0.90 NPC1 (0.47) GCGRGIPRADCY6ADCY3ADCY9
SCHEMBL2653538 0.86 GCGR (0.51) GCGRGIPR
SCHEMBL2655892 0.86 GCGR (0.46) GCGRGIPRPPARDPPARA
SCHEMBL2654697 0.86 GCGR (0.55) GCGRGIPRPPARDPPARA
SCHEMBL2654589 0.86 GCGR (0.48) GCGRGIPRADCY6ADCY3ADCY9
SCHEMBL2654332 0.85 EPHX2 (0.47) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL2655266 0.84 GCG (0.55) GCGRGIPR

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-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