SCHEMBL2653753

SCHEMBL2653753

Cc1cc(OCC(C)Cc2ccc(C(=O)NCCC(=O)O)cc2)cc(C)c1-c1ccc(C(C)(C)C)cc1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GCGR P47871 17/20 0.60
ADCY6 O43306 7/20 0.51
ADCY3 O60266 7/20 0.51
ADCY9 O60503 7/20 0.51
ADCY5 O95622 7/20 0.51
ADCY8 P40145 7/20 0.51
ADCY7 P51828 7/20 0.51
ADCY2 Q08462 7/20 0.51
ADCY1 Q08828 7/20 0.51
ADCY4 Q8NFM4 7/20 0.51
EPHX2 P34913 2/20 0.45
NR1H4 Q96RI1 2/20 0.45
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.43
CASP3 P42574 1/20 0.43
RAB9A P51151 1/20 0.43
SENP7 Q9BQF6 1/20 0.43

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
SCHEMBL2653527 0.92 GCGR (0.55) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL2654626 0.92 GCGR (0.51) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL2655617 0.91 GCGR (0.61) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL2655997 0.91 GCGR (0.61) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL2654108 0.90 GCGR (0.52) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL2653428 0.89 GCGR (0.58) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL1765233 0.87 GCGR (0.63) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL2655996 0.86 GCGR (0.66) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL2655157 0.85 GCGR (0.60) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL2655329 0.85 GCGR (0.61) 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 5 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-2928497-B1 METHODS OF TREATING DIABETES BY ADMINISTERING A GLUCAGON RECEPTOR ANTAGONIST IN COMBINATION WITH A CHOLESTEROL ABSORPTION INHIBITOR MERCK SHARP & DOHME (US) 2020-03-25 EP disclosed
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