SCHEMBL2654428

SCHEMBL2654428

Cc1cc(OCC(C)(C)CCc2ccc(C(=O)NCCC(=O)O)s2)ccc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GCGR P47871 14/20 0.44
PPARD Q03181 4/20 0.41
PPARA Q07869 2/20 0.41
PPARG P37231 1/20 0.41
MCL1 Q07820 1/20 0.39

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
SCHEMBL2655425 0.93 GCGR (0.37) GCGRPPARDPPARAPPARG
SCHEMBL2654434 0.92 GCGR (0.45) GCGRPPARDPPARAPPARGMCL1
SCHEMBL2654450 0.90 GCGR (0.47) GCGRPPARDPPARAPPARGMCL1
SCHEMBL2653785 0.90 PPARA (0.41) GCGRPPARDPPARAPPARGMCL1
SCHEMBL2654424 0.89 GCGR (0.46) GCGRPPARDPPARAPPARGMCL1
SCHEMBL2654749 0.88 GCGR (0.46) GCGRPPARDPPARAPPARGMCL1
SCHEMBL2666496 0.88 GCGR (0.48) GCGRPPARDPPARAPPARGMCL1
SCHEMBL2655313 0.87 GCGR (0.45) GCGRPPARDPPARAPPARGMCL1
SCHEMBL2653300 0.85 GCGR (0.41) GCGRPPARDMCL1
SCHEMBL2653895 0.85 GCGR (0.38) GCGRPPARDPPARAPPARG

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