SCHEMBL2655409

SCHEMBL2655409

CC(COc1ccc(-c2ccc(C(C)(C)C)cc2)c(C(F)(F)F)c1)Cc1ccc(C(=O)NCCC(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GCGR P47871 16/20 0.51
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
GLP1R P43220 1/20 0.44
GIPR P48546 1/20 0.44
SRD5A2 P31213 1/20 0.44
EPHX2 P34913 2/20 0.42
NR1H4 Q96RI1 2/20 0.42
GCG P01275 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
SCHEMBL2653911 0.93 GCGR (0.43) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL2654507 0.92 GCGR (0.47) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL2653428 0.87 GCGR (0.58) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL2654059 0.86 GCGR (0.50) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL2657149 0.84 GCGR (0.46) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL2654607 0.84 GCGR (0.46) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL2653550 0.84 GCGR (0.49) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL2653536 0.82 GCGR (0.51) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL1765604 0.82 GCGR (0.58) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL2653753 0.82 GCGR (0.60) 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