SCHEMBL2654440

SCHEMBL2654440

Cc1cc(OCC(C)CCc2ccc(C(=O)NCCC(=O)O)s2)cc(C)c1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GCGR P47871 14/20 0.47
MCL1 Q07820 1/20 0.41
PPARD Q03181 3/20 0.40
PPARG P37231 2/20 0.40
PPARA Q07869 2/20 0.40
GIPR P48546 4/20 0.38
GCG P01275 3/20 0.38
GLP1R P43220 2/20 0.38
CHRM5 P08912 1/20 0.38
VIPR2 P41587 1/20 0.37

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
SCHEMBL2654086 0.93 GCGR (0.40) GCGRMCL1PPARDPPARGPPARA
SCHEMBL2652676 0.93 GCGR (0.51) GCGRMCL1GIPR
SCHEMBL2653132 0.92 GCGR (0.46) GCGRMCL1PPARDPPARGPPARA
SCHEMBL2655418 0.91 FFAR1 (0.40) GCGRMCL1PPARAGIPRGCG
SCHEMBL2654266 0.91 GCGR (0.43) GCGRPPARDGIPR
SCHEMBL2654239 0.91 GCGR (0.41) GCGRMCL1GIPRGCG
SCHEMBL2653999 0.90 FFAR1 (0.41) GCGRMCL1PPARGPPARA
SCHEMBL2652866 0.90 GCGR (0.43) GCGRPPARDPPARGPPARAGIPR
SCHEMBL2653953 0.89 GCGR (0.43) GCGRMCL1GIPRGCGVIPR2
SCHEMBL2655038 0.89 GCGR (0.39) GCGRMCL1PPARDPPARGPPARA

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