SCHEMBL2654850

SCHEMBL2654850

Cc1cc(OCCCCCCCc2ccc(C(=O)NCCC(=O)O)cc2)cc(C)c1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GCGR P47871 10/20 0.53
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
PPARD Q03181 4/20 0.44
PPARA Q07869 2/20 0.44
S1PR1 P21453 2/20 0.43
S1PR3 Q99500 1/20 0.43
S1PR5 Q9H228 1/20 0.43
EPHX2 P34913 1/20 0.43
GIPR P48546 2/20 0.43
GCG P01275 3/20 0.43
CHRM5 P08912 1/20 0.43
GLP1R P43220 1/20 0.43
PPARG P37231 1/20 0.42

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
SCHEMBL2653639 0.94 GCGR (0.56) GCGRMEN1KMT2APPARDPPARA
SCHEMBL2654611 0.92 GCGR (0.59) GCGRS1PR1S1PR3S1PR5EPHX2
SCHEMBL2654997 0.91 GCGR (0.53) GCGRGIPR
SCHEMBL2655645 0.90 GCGR (0.47) GCGRMEN1KMT2AS1PR1S1PR3
SCHEMBL2653422 0.89 PPARD (0.51) GCGRMEN1KMT2APPARDPPARA
SCHEMBL2654727 0.88 GCGR (0.55) GCGRMEN1KMT2APPARDPPARA
SCHEMBL2656116 0.88 GCGR (0.55) GCGRMEN1KMT2APPARDPPARA
SCHEMBL12595504 0.88 GCGR (0.57) GCGRPPARDPPARAS1PR1GIPR
SCHEMBL2654985 0.88 MEN1 (0.55) GCGRMEN1KMT2AS1PR1S1PR3
SCHEMBL2661613 0.88 MEN1 (0.55) GCGRMEN1KMT2AS1PR1S1PR3

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