SCHEMBL2651583

SCHEMBL2651583

O=C(O)CCNC(=O)c1ccc(OCCCCCc2ccc(-c3ccc(C(F)(F)F)cc3)nc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GCGR P47871 9/20 0.49
GIPR P48546 5/20 0.49
GCG P01275 1/20 0.48
DGAT1 O75907 2/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
S1PR1 P21453 3/20 0.45
S1PR3 Q99500 1/20 0.45
S1PR5 Q9H228 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
MAPT P10636 2/20 0.45
NPC1 O15118 1/20 0.44
NFKB1 P19838 1/20 0.44
RAB9A P51151 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 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
SCHEMBL2652475 1.00 GCGR (0.49) GCGRGIPRGCGDGAT1MEN1
SCHEMBL2653041 1.00 GCGR (0.49) GCGRGIPRGCGDGAT1MEN1
SCHEMBL2651638 1.00 GCGR (0.49) GCGRGIPRGCGDGAT1MEN1
SCHEMBL2652203 0.99 GCGR (0.50) GCGRGIPRGCGDGAT1MEN1
SCHEMBL2652224 0.96 GCGR (0.51) GCGRGIPRGCGDGAT1MEN1
SCHEMBL2654793 0.94 GCG (0.50) GCGRGIPRGCGDGAT1MEN1
SCHEMBL2654285 0.94 GCG (0.48) GCGRGIPRGCGDGAT1MEN1
SCHEMBL2655011 0.94 GCG (0.50) GCGRGIPRGCGDGAT1MEN1
SCHEMBL2654456 0.94 GCG (0.50) GCGRGIPRGCGDGAT1MEN1
SCHEMBL2650317 0.94 GCG (0.49) GCGRGIPRGCGDGAT1MEN1

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