SCHEMBL2654789

SCHEMBL2654789

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCG P01275 2/20 0.44
GCGR P47871 14/20 0.42
GIPR P48546 4/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 1/20 0.42
ADCY6 O43306 2/20 0.41
ADCY3 O60266 2/20 0.41
ADCY9 O60503 2/20 0.41
ADCY5 O95622 2/20 0.41
ADCY8 P40145 2/20 0.41
ADCY7 P51828 2/20 0.41
ADCY2 Q08462 2/20 0.41
ADCY1 Q08828 2/20 0.41
ADCY4 Q8NFM4 2/20 0.41
VIPR2 P41587 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C8 P10632 1/20 0.40

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
SCHEMBL2655241 0.91 GCG (0.45) GCGGCGRGIPRNPC1RAB9A
SCHEMBL2655131 0.91 GCG (0.44) GCGGCGRGIPRNPC1RAB9A
SCHEMBL2654806 0.91 GCGR (0.49) GCGGCGRGIPRNPC1RAB9A
SCHEMBL2654785 0.89 NPC1 (0.44) GCGGCGRGIPRNPC1RAB9A
SCHEMBL2653325 0.88 GCG (0.43) GCGGCGRGIPRNPC1RAB9A
SCHEMBL2655245 0.88 GCG (0.42) GCGGCGRGIPRNPC1RAB9A
SCHEMBL2653793 0.87 KDM4E (0.46) GCGGCGRGIPRNPC1RAB9A
SCHEMBL2656415 0.86 GCG (0.41) GCGGCGRGIPRNPC1RAB9A
SCHEMBL2655459 0.85 NPC1 (0.47) GCGGCGRGIPRNPC1RAB9A
SCHEMBL2653405 0.83 GCGR (0.53) GCGGCGRGIPRNPC1RAB9A

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