SCHEMBL2654060

SCHEMBL2654060

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

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GCGR P47871 17/20 0.40
ADCY6 O43306 3/20 0.40
ADCY3 O60266 3/20 0.40
ADCY9 O60503 3/20 0.40
ADCY5 O95622 3/20 0.40
ADCY8 P40145 3/20 0.40
ADCY7 P51828 3/20 0.40
ADCY2 Q08462 3/20 0.40
ADCY1 Q08828 3/20 0.40
ADCY4 Q8NFM4 3/20 0.40
GCG P01275 1/20 0.39
GIPR P48546 2/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL2655009 0.92 GCGR (0.40) GCGRGCGGIPR
SCHEMBL2656415 0.90 GCG (0.41) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL2653325 0.88 GCG (0.43) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL2655241 0.86 GCG (0.45) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL2654973 0.86 ROCK2 (0.38) GCGRGIPR
SCHEMBL2655131 0.84 GCG (0.44) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL2654806 0.84 GCGR (0.49) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL12595585 0.83 GCGR (0.49) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL1765915 0.83 GCGR (0.49) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL2654789 0.83 GCG (0.44) GCGRADCY6ADCY3ADCY9ADCY5

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