SCHEMBL2652159

SCHEMBL2652159

O=C(O)CCNC(=O)c1ccc(OCCCCCCc2ccc(-c3ccc(OC(F)(F)F)cc3)nc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GCGR P47871 20/20 0.58
GIPR P48546 7/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C8 P10632 1/20 0.52
CYP2C9 P11712 1/20 0.52
KCNH2 Q12809 1/20 0.52

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
SCHEMBL2651583 0.92 GCGR (0.49) GCGRGIPR
SCHEMBL2653041 0.92 GCGR (0.49) GCGRGIPR
SCHEMBL2652475 0.92 GCGR (0.49) GCGRGIPR
SCHEMBL2651638 0.92 GCGR (0.49) GCGRGIPR
SCHEMBL2652203 0.91 GCGR (0.50) GCGRGIPR
SCHEMBL2653154 0.90 GCG (0.53) GCGR
SCHEMBL2651753 0.90 GCG (0.49) GCGR
SCHEMBL2654517 0.90 GCGR (0.57) GCGRGIPRCYP3A4CYP2C8CYP2C9
SCHEMBL2655109 0.90 GCGR (0.57) GCGRGIPRCYP3A4CYP2C8CYP2C9
SCHEMBL2650861 0.89 GCGR (0.46) GCGRGIPRCYP3A4CYP2C8CYP2C9

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-1758859-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2007-03-07 EP claimed
WO-2005118542-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2005-12-15 WO claimed
EP-1758859-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2007-03-07 EP disclosed
WO-2005118542-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2005-12-15 WO disclosed