SCHEMBL2656044

SCHEMBL2656044

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

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GCGR P47871 14/20 0.42
MCL1 Q07820 1/20 0.41
PPARD Q03181 5/20 0.39
GIPR P48546 3/20 0.38
PPARA Q07869 2/20 0.35
PPARG P37231 1/20 0.35

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
SCHEMBL2654683 0.93 GCGR (0.46) GCGRMCL1GIPR
SCHEMBL2653834 0.92 PPARD (0.36) GCGRMCL1PPARDGIPRPPARA
SCHEMBL2656753 0.87 PPARD (0.42) PPARDPPARAPPARG
SCHEMBL2666526 0.86 MCL1 (0.46) GCGRMCL1PPARDGIPRPPARA
SCHEMBL2653235 0.86 MCL1 (0.43) GCGRMCL1PPARDGIPRPPARA
SCHEMBL2654440 0.85 GCGR (0.47) GCGRMCL1PPARDGIPRPPARA
SCHEMBL2662579 0.85 MCL1 (0.42) GCGRMCL1PPARDGIPRPPARA
SCHEMBL2654856 0.85 GCGR (0.49) GCGRPPARDGIPR
SCHEMBL2655204 0.85 GCGR (0.42) GCGRMCL1PPARDGIPRPPARA
SCHEMBL2661440 0.84 PPARD (0.37) GCGRMCL1PPARDGIPRPPARA

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 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