SCHEMBL2655342

SCHEMBL2655342

CC(C)(CCc1ccc(C(=O)NCCC(=O)O)s1)COc1ccc(-c2ccc(C(F)(F)F)cc2)nc1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 3/20 0.41
GCGR P47871 12/20 0.40
GIPR P48546 5/20 0.40
PPARA Q07869 2/20 0.39
GCG P01275 2/20 0.39
P2RY14 Q15391 1/20 0.38
PPARG P37231 1/20 0.37
PPARD Q03181 1/20 0.37
KMT2A Q03164 1/20 0.36
GLP1R P43220 1/20 0.36

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
SCHEMBL2655143 0.94 GCGR (0.40) DGAT1GCGRGIPRGCGKMT2A
SCHEMBL2653785 0.91 PPARA (0.41) GCGRGIPRPPARAPPARGPPARD
SCHEMBL2666610 0.86 GCGR (0.44) DGAT1GCGRGIPRPPARAGCG
SCHEMBL2654428 0.85 GCGR (0.44) GCGRPPARAPPARGPPARD
SCHEMBL2654450 0.85 GCGR (0.47) GCGRGIPRPPARAGCGPPARG
SCHEMBL2655151 0.83 PPARA (0.39) PPARAP2RY14PPARGPPARDKMT2A
SCHEMBL2654631 0.82 KMT2A (0.41) GCGRGIPRPPARAPPARGPPARD
SCHEMBL2656186 0.82 GCG (0.49) GCGRGIPRPPARAGCGKMT2A
SCHEMBL13647261 0.79 GCGR (0.48) GCGRGIPRGCGKMT2AGLP1R
SCHEMBL2653887 0.78 PPARA (0.42) GCGRGIPRPPARAPPARGPPARD

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