SCHEMBL2653071

SCHEMBL2653071

COC(=O)CCNC(=O)c1ccc(CC(C)COc2ccc(-c3ccc(C(F)(F)F)cc3)c(C)c2)s1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GCGR P47871 8/20 0.39
PPARD Q03181 10/20 0.37
PPARG P37231 2/20 0.36
PPARA Q07869 2/20 0.36
SLC1A3 P43003 1/20 0.35
SLC1A2 P43004 1/20 0.35
SLC1A1 P43005 1/20 0.35
EPHX2 P34913 1/20 0.34
GIPR P48546 1/20 0.34

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
SCHEMBL2652401 0.93 GCGR (0.35) GCGRPPARDEPHX2
SCHEMBL2652643 0.93 GCGR (0.46) GCGRPPARDPPARGPPARAGIPR
SCHEMBL2653672 0.90 GCGR (0.39) GCGRPPARDPPARGPPARAEPHX2
SCHEMBL2653251 0.90 GCGR (0.37) GCGRPPARDPPARAEPHX2
SCHEMBL9072397 0.88 PPARD (0.41) GCGRPPARDPPARGPPARA
SCHEMBL2653567 0.85 PPARD (0.41) GCGRPPARDPPARGPPARAEPHX2
SCHEMBL2653286 0.85 GCGR (0.42) GCGR
SCHEMBL2654679 0.85 PPARD (0.42) GCGRPPARDPPARGPPARAEPHX2
SCHEMBL2653895 0.85 GCGR (0.38) GCGRPPARDPPARGPPARASLC1A3
SCHEMBL2655425 0.83 GCGR (0.37) GCGRPPARDPPARGPPARAEPHX2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1856090-A2 SUBSTITUTED THIOPHENE DERIVATIVES AS GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2007-11-21 EP disclosed
WO-2006086488-A2 SUBSTITUTED THIOPHENE DERIVATIVES AS GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2006-08-17 WO disclosed