SCHEMBL2653550

SCHEMBL2653550

CC(COc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)Cc1ccc(C(=O)NCCC(=O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GCGR P47871 15/20 0.49
ADCY6 O43306 3/20 0.49
ADCY3 O60266 3/20 0.49
ADCY9 O60503 3/20 0.49
ADCY5 O95622 3/20 0.49
ADCY8 P40145 3/20 0.49
ADCY7 P51828 3/20 0.49
ADCY2 Q08462 3/20 0.49
ADCY1 Q08828 3/20 0.49
ADCY4 Q8NFM4 3/20 0.49
GIPR P48546 2/20 0.49
GCG P01275 1/20 0.47
S1PR1 P21453 1/20 0.46
PPARA Q07869 2/20 0.46
PPARD Q03181 1/20 0.46
EPHX2 P34913 1/20 0.45
PPARG P37231 1/20 0.45
MAPK14 Q16539 1/20 0.45

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
SCHEMBL2654579 0.91 PPARD (0.43) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL2653428 0.91 GCGR (0.58) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL2654147 0.90 FFAR1 (0.48) GCGRGIPRGCGS1PR1PPARA
SCHEMBL2654059 0.89 GCGR (0.50) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL2653527 0.89 GCGR (0.55) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL2654644 0.89 GCG (0.47) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL2652048 0.87 GCGR (0.48) GCGRGIPRGCGPPARD
SCHEMBL2269791 0.84 MAOB (0.58) GCGRGIPRS1PR1PPARAPPARD
SCHEMBL2655409 0.84 GCGR (0.51) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL2655260 0.83 GCGR (0.45) GCGRGIPRPPARAPPARDPPARG

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-1758853-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2007-03-07 EP disclosed
WO-2005123668-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2005-12-29 WO disclosed