SCHEMBL2653793

SCHEMBL2653793

CC(CCc1ccc(C(=O)NCCC(=O)O)cc1)COc1ccc(-c2ccc(C(C)C)cc2)c(CN2CCOCC2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
KMT2A Q03164 2/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
TSHR P16473 2/20 0.41
ALDH1A1 P00352 2/20 0.41
GCGR P47871 4/20 0.41
MCHR1 Q99705 1/20 0.39
GIPR P48546 1/20 0.39
MEN1 O00255 1/20 0.39
CD274 Q9NZQ7 3/20 0.39
HPGD P15428 1/20 0.39
GCG P01275 1/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PDE10A Q9Y233 1/20 0.39

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
SCHEMBL2654789 0.87 GCG (0.44) ALDH1A1GCGRGIPRGCGNPC1
SCHEMBL2655241 0.84 GCG (0.45) KDM4EALDH1A1GCGRGIPRGCG
SCHEMBL1765816 0.84 GCGR (0.48) KDM4EKMT2ATSHRALDH1A1GCGR
SCHEMBL2655131 0.83 GCG (0.44) ALDH1A1GCGRGIPRGCGNPC1
SCHEMBL2654806 0.83 GCGR (0.49) GCGRGIPRGCGNPC1RAB9A
SCHEMBL2654785 0.82 NPC1 (0.44) ALDH1A1GCGRGIPRGCGNPC1
SCHEMBL2653325 0.81 GCG (0.43) GCGRGIPRGCGNPC1RAB9A
SCHEMBL2655245 0.81 GCG (0.42) GCGRGIPRGCGNPC1RAB9A
SCHEMBL13460099 0.80 GCGR (0.47) KDM4EKMT2ATSHRALDH1A1GCGR
SCHEMBL2656415 0.79 GCG (0.41) GCGRGIPRGCGNPC1RAB9A

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