SCHEMBL2653428

SCHEMBL2653428

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 13/20 0.58
ADCY6 O43306 6/20 0.58
ADCY3 O60266 6/20 0.58
ADCY9 O60503 6/20 0.58
ADCY5 O95622 6/20 0.58
ADCY8 P40145 6/20 0.58
ADCY7 P51828 6/20 0.58
ADCY2 Q08462 6/20 0.58
ADCY1 Q08828 6/20 0.58
ADCY4 Q8NFM4 6/20 0.58
NR1H4 Q96RI1 4/20 0.53
EPHX2 P34913 3/20 0.53
NPC1 O15118 1/20 0.50
POLB P06746 1/20 0.50
CASP3 P42574 1/20 0.50
RAB9A P51151 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.48
GCG P01275 1/20 0.48
GLP1R P43220 1/20 0.47

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
SCHEMBL2653943 0.91 NR1H4 (0.48) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL2653550 0.91 GCGR (0.49) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL2655270 0.90 GCGR (0.53) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL2653753 0.89 GCGR (0.60) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL2655409 0.87 GCGR (0.51) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL2654353 0.87 NR1H4 (0.54) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL2654644 0.84 GCG (0.47) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL2654593 0.82 NPC1 (0.59) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL16306187 0.82 L3MBTL1 (0.47) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL2654579 0.82 PPARD (0.43) 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