SCHEMBL2654424

SCHEMBL2654424

Cc1cc(OCCCc2ccc(C(=O)NCCC(=O)O)s2)ccc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GCGR P47871 11/20 0.46
PPARD Q03181 5/20 0.43
PPARG P37231 2/20 0.43
PPARA Q07869 2/20 0.43
MCL1 Q07820 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
FFAR1 O14842 1/20 0.40

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
SCHEMBL2654749 0.97 GCGR (0.46) GCGRPPARDPPARGPPARAMCL1
SCHEMBL2655313 0.97 GCGR (0.45) GCGRPPARDPPARGPPARAMCL1
SCHEMBL2654407 0.92 GCGR (0.42) GCGRPPARDPPARGPPARAMCL1
SCHEMBL2666496 0.91 GCGR (0.48) GCGRPPARDPPARGPPARAMCL1
SCHEMBL2653567 0.90 PPARD (0.41) GCGRPPARDPPARGPPARA
SCHEMBL2656490 0.90 GCGR (0.41) GCGRPPARDPPARGPPARAMCL1
SCHEMBL2652922 0.90 GCGR (0.46) GCGRPPARDPPARGPPARAMCL1
SCHEMBL2656127 0.89 GCGR (0.41) GCGRPPARDPPARGPPARAFFAR4
SCHEMBL2654428 0.89 GCGR (0.44) GCGRPPARDPPARGPPARAMCL1
SCHEMBL2653246 0.88 FFAR4 (0.43) GCGRPPARDPPARGPPARAMCL1

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