SCHEMBL2655313

SCHEMBL2655313

Cc1cc(OCCCCCc2ccc(C(=O)NCCC(=O)O)s2)ccc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GCGR P47871 10/20 0.45
PPARD Q03181 6/20 0.43
PPARG P37231 2/20 0.42
PPARA Q07869 2/20 0.42
MCL1 Q07820 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
S1PR1 P21453 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
SCHEMBL2654749 0.99 GCGR (0.46) GCGRPPARDPPARGPPARAMCL1
SCHEMBL2654424 0.97 GCGR (0.46) GCGRPPARDPPARGPPARAMCL1
SCHEMBL2656127 0.93 GCGR (0.41) GCGRPPARDPPARGPPARAFFAR4
SCHEMBL2653567 0.92 PPARD (0.41) GCGRPPARDPPARGPPARA
SCHEMBL2656490 0.92 GCGR (0.41) GCGRPPARDPPARGPPARAMCL1
SCHEMBL2652586 0.90 GCGR (0.45) GCGRPPARDPPARGPPARAMCL1
SCHEMBL2654407 0.89 GCGR (0.42) GCGRPPARDPPARGPPARAMCL1
SCHEMBL2652620 0.89 GCGR (0.46) GCGRPPARDPPARGPPARAMCL1
SCHEMBL2666496 0.89 GCGR (0.48) GCGRPPARDPPARGPPARAMCL1
SCHEMBL2653599 0.89 FFAR4 (0.41) GCGRPPARDPPARGPPARAFFAR4

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