SCHEMBL2654793

SCHEMBL2654793

O=C(O)CCNC(=O)c1ccc(CCCCCCCOc2ccc(-c3ccc(C(F)(F)F)cc3)nc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GCG P01275 1/20 0.50
GCGR P47871 9/20 0.49
GIPR P48546 5/20 0.49
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
DGAT1 O75907 2/20 0.46
CYP4F2 P78329 3/20 0.46
CYP4A11 Q02928 3/20 0.46
S1PR1 P21453 3/20 0.45
S1PR3 Q99500 1/20 0.45
S1PR5 Q9H228 1/20 0.45

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
SCHEMBL2655011 1.00 GCG (0.50) GCGGCGRGIPRMEN1KMT2A
SCHEMBL2654456 1.00 GCG (0.50) GCGGCGRGIPRMEN1KMT2A
SCHEMBL2651638 0.94 GCGR (0.49) GCGGCGRGIPRMEN1KMT2A
SCHEMBL2651583 0.94 GCGR (0.49) GCGGCGRGIPRMEN1KMT2A
SCHEMBL2654285 0.94 GCG (0.48) GCGGCGRGIPRMEN1KMT2A
SCHEMBL2652475 0.94 GCGR (0.49) GCGGCGRGIPRMEN1KMT2A
SCHEMBL2653041 0.94 GCGR (0.49) GCGGCGRGIPRMEN1KMT2A
SCHEMBL2652203 0.94 GCGR (0.50) GCGGCGRGIPRMEN1KMT2A
SCHEMBL2650317 0.94 GCG (0.49) GCGGCGRGIPRMEN1KMT2A
SCHEMBL2654487 0.91 MEN1 (0.48) GCGGCGRGIPRMEN1KMT2A

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