SCHEMBL2653339

SCHEMBL2653339

CC(CCCc1ccc(C(=O)NCCC(=O)O)s1)COc1ccc(-c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GCGR P47871 18/20 0.42
PPARD Q03181 2/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
GCG P01275 2/20 0.38
GIPR P48546 5/20 0.38
GLP1R P43220 2/20 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
SCHEMBL2652866 0.95 GCGR (0.43) GCGRPPARDPPARGPPARAGIPR
SCHEMBL2655260 0.89 GCGR (0.45) GCGRPPARDPPARGPPARAGIPR
SCHEMBL2653246 0.87 FFAR4 (0.43) GCGRPPARDPPARGPPARAGIPR
SCHEMBL2654877 0.87 HPGD (0.36) GCGRPPARDPPARGPPARA
SCHEMBL2652510 0.86 FFAR4 (0.42) GCGRPPARDPPARGPPARAGIPR
SCHEMBL2653599 0.86 FFAR4 (0.41) GCGRPPARDPPARGPPARAGIPR
SCHEMBL2655570 0.86 FFAR4 (0.41) GCGRPPARDPPARGPPARAGIPR
SCHEMBL2654440 0.85 GCGR (0.47) GCGRPPARDPPARGPPARAGCG
SCHEMBL2653887 0.84 PPARA (0.42) GCGRPPARDPPARGPPARAGIPR
SCHEMBL2666511 0.82 PPARD (0.47) GCGRPPARDPPARGPPARAGIPR

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 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