SCHEMBL2653538

SCHEMBL2653538

Cc1ccc(OCC(C)CCc2ccc(C(=O)NCCC(=O)O)cc2)cc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GCGR P47871 18/20 0.51
GIPR P48546 5/20 0.51
FFAR1 O14842 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
GCG P01275 2/20 0.43
GLP1R P43220 2/20 0.42
VIPR2 P41587 1/20 0.42
CHRM5 P08912 1/20 0.42

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
SCHEMBL2654012 0.92 GCGR (0.49) GCGRGIPR
SCHEMBL2654147 0.90 FFAR1 (0.48) GCGRGIPRFFAR1FFAR4GCG
SCHEMBL2654589 0.89 GCGR (0.48) GCGRGIPRFFAR1FFAR4
SCHEMBL2654697 0.88 GCGR (0.55) GCGRGIPRGCGGLP1RCHRM5
SCHEMBL2654049 0.86 GCGR (0.47) GCGRGIPR
SCHEMBL2654790 0.85 GCG (0.48) GCGRGIPRGCGGLP1RCHRM5
SCHEMBL2654507 0.85 GCGR (0.47) GCGRGIPRGLP1R
SCHEMBL2655892 0.85 GCGR (0.46) GCGRGIPRGCGGLP1RVIPR2
SCHEMBL2654059 0.85 GCGR (0.50) GCGRGIPRGCG
SCHEMBL2655266 0.84 GCG (0.55) GCGRGIPRGCGGLP1R

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