SCHEMBL2656922

SCHEMBL2656922

CC(CCc1ccc(C(=O)NCCC(=O)O)cc1)COc1ccc(-c2ccc(Cl)cc2Cl)c(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 11/20 0.49
ADCY6 O43306 2/20 0.49
ADCY3 O60266 2/20 0.49
ADCY9 O60503 2/20 0.49
ADCY5 O95622 2/20 0.49
ADCY8 P40145 2/20 0.49
ADCY7 P51828 2/20 0.49
ADCY2 Q08462 2/20 0.49
ADCY1 Q08828 2/20 0.49
ADCY4 Q8NFM4 2/20 0.49
GCG P01275 5/20 0.47
SMN1; SMN2 Q16637 4/20 0.45
ALDH1A1 P00352 3/20 0.45
HPGD P15428 3/20 0.45
KDM4E B2RXH2 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
POLB P06746 1/20 0.45
HTT P42858 1/20 0.45
MCHR1 Q99705 1/20 0.44

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
SCHEMBL2654806 0.89 GCGR (0.49) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL2654876 0.88 GCG (0.45) GCGRGCGSMN1; SMN2ALDH1A1GIPR
SCHEMBL2654589 0.86 GCGR (0.48) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL2653970 0.83 GCGR (0.49) GCGRGCGSMN1; SMN2ALDH1A1MCHR1
SCHEMBL2655241 0.82 GCG (0.45) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL2655131 0.81 GCG (0.44) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL2654789 0.81 GCG (0.44) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL2655097 0.81 RAB9A (0.42) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL2654785 0.80 NPC1 (0.44) GCGRGCGSMN1; SMN2ALDH1A1CYP2C9
SCHEMBL2654353 0.80 NR1H4 (0.54) 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