SCHEMBL2653536

SCHEMBL2653536

Cc1cc(OCC(C)Cc2ccc(C(=O)NCCC(=O)O)cc2)ccc1-c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GCGR P47871 20/20 0.51
ADCY6 O43306 1/20 0.51
ADCY3 O60266 1/20 0.51
ADCY9 O60503 1/20 0.51
ADCY5 O95622 1/20 0.51
ADCY8 P40145 1/20 0.51
ADCY7 P51828 1/20 0.51
ADCY2 Q08462 1/20 0.51
ADCY1 Q08828 1/20 0.51
ADCY4 Q8NFM4 1/20 0.51
GIPR P48546 4/20 0.49
CYP3A4 P08684 1/20 0.48
CYP2C8 P10632 1/20 0.48
CYP2C9 P11712 1/20 0.48
KCNH2 Q12809 1/20 0.48

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
SCHEMBL2656506 0.92 GCGR (0.43) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL2654059 0.92 GCGR (0.50) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL2653686 0.89 GCG (0.47) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL2654679 0.85 PPARD (0.42) GCGRGIPR
SCHEMBL2656188 0.82 GCGR (0.52) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL2655409 0.82 GCGR (0.51) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL1765129 0.82 GCGR (0.57) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL2653527 0.82 GCGR (0.55) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL12595619 0.81 GCGR (0.57) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL2653550 0.81 GCGR (0.49) 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