SCHEMBL2657520

SCHEMBL2657520

CC(CCc1ccc(C(=O)NCCC(=O)O)cc1)COc1ccc(-c2ccc(C(C)(C)C)cc2)nc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GCG P01275 1/20 0.56
GCGR P47871 14/20 0.48
GIPR P48546 1/20 0.47
ADCY6 O43306 4/20 0.46
ADCY3 O60266 4/20 0.46
ADCY9 O60503 4/20 0.46
ADCY5 O95622 4/20 0.46
ADCY8 P40145 4/20 0.46
ADCY7 P51828 4/20 0.46
ADCY2 Q08462 4/20 0.46
ADCY1 Q08828 4/20 0.46
ADCY4 Q8NFM4 4/20 0.46
EPHX2 P34913 2/20 0.45
NR1H4 Q96RI1 2/20 0.45
ESRRG P62508 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ESRRB O95718 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
SCHEMBL2655266 0.92 GCG (0.55) GCGGCGRGIPR
SCHEMBL2655270 0.90 GCGR (0.53) GCGRGIPRADCY6ADCY3ADCY9
SCHEMBL2654353 0.89 NR1H4 (0.54) GCGRGIPRADCY6ADCY3ADCY9
SCHEMBL2655286 0.89 GCG (0.53) GCGGCGRGIPR
SCHEMBL3778469 0.87 GCG (0.53) GCGGCGRGIPR
SCHEMBL2654622 0.86 GCG (0.53) GCGGCGRGIPRADCY6ADCY3
SCHEMBL2654012 0.84 GCGR (0.49) GCGRGIPRADCY6ADCY3ADCY9
SCHEMBL2655617 0.83 GCGR (0.61) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL2655364 0.83 GCGR (0.51) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL2657400 0.83 GCG (0.50) GCGGCGRGIPRADCY6ADCY3

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 claimed
WO-2005123668-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2005-12-29 WO claimed