SCHEMBL2653527

SCHEMBL2653527

Cc1cc(OCC(C)Cc2ccc(C(=O)NCCC(=O)O)cc2)cc(C)c1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GCGR P47871 17/20 0.55
GIPR P48546 4/20 0.46
GCG P01275 3/20 0.44
CHRM5 P08912 1/20 0.44
GLP1R P43220 1/20 0.44
PPARD Q03181 1/20 0.44
PPARA Q07869 1/20 0.44
ADCY6 O43306 1/20 0.44
ADCY3 O60266 1/20 0.44
ADCY9 O60503 1/20 0.44
ADCY5 O95622 1/20 0.44
ADCY8 P40145 1/20 0.44
ADCY7 P51828 1/20 0.44
ADCY2 Q08462 1/20 0.44
ADCY1 Q08828 1/20 0.44
ADCY4 Q8NFM4 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
SCHEMBL2653753 0.92 GCGR (0.60) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL2654697 0.91 GCGR (0.55) GCGRGIPRGCGCHRM5GLP1R
SCHEMBL2655051 0.91 GCGR (0.55) GCGRGIPRGCGCHRM5GLP1R
SCHEMBL2654059 0.90 GCGR (0.50) GCGRGIPRGCGPPARDADCY6
SCHEMBL2654108 0.89 GCGR (0.52) GCGRGIPRGCGADCY6ADCY3
SCHEMBL2653550 0.89 GCGR (0.49) GCGRGIPRGCGPPARDPPARA
SCHEMBL12595504 0.87 GCGR (0.57) GCGRGIPRGCGCHRM5GLP1R
SCHEMBL2655050 0.86 GCGR (0.60) GCGRGIPRGCGCHRM5GLP1R
SCHEMBL2656116 0.85 GCGR (0.55) GCGRGIPRGCGCHRM5GLP1R
SCHEMBL2653639 0.85 GCGR (0.56) GCGRGIPRGCGCHRM5GLP1R

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