SCHEMBL2655085

SCHEMBL2655085

Cc1cc(OCC(C)(C)CCc2ccc(C(=O)NCCC(=O)O)cc2)cnc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GCGR P47871 13/20 0.46
▸ GCG P01275 4/20 0.45
▸ GLP1R P43220 2/20 0.43
▸ CHRM5 P08912 1/20 0.43
▸ GIPR P48546 3/20 0.42
▸ PPARA Q07869 2/20 0.41
▸ PPARD Q03181 1/20 0.41
▸ ROCK2 O75116 1/20 0.41
▸ ROCK1 Q13464 1/20 0.41

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
SCHEMBL2656558 0.96 GCGR (0.45) GCGRGCGGLP1RCHRM5GIPR
SCHEMBL2653584 0.88 GCGR (0.56) GCGRGCGGLP1RCHRM5GIPR
SCHEMBL2654724 0.88 GCGR (0.50) GCGRGLP1RGIPR
SCHEMBL2654807 0.85 GCGR (0.45) GCGRGCGGIPR
SCHEMBL2654727 0.85 GCGR (0.55) GCGRGCGGLP1RCHRM5GIPR
SCHEMBL2654790 0.85 GCG (0.48) GCGRGCGGLP1RCHRM5GIPR
SCHEMBL2653305 0.83 MEN1 (0.48) GCGRGIPRPPARAPPARD
SCHEMBL2656186 0.83 GCG (0.49) GCGRGCGGLP1RGIPRPPARA
SCHEMBL2655611 0.81 GCGR (0.60) GCGRGIPR
SCHEMBL2655103 0.81 GCGR (0.47) GCGRPPARAPPARDROCK2ROCK1

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