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Sugi Predict / Compounds / SCHEMBL2653341

SCHEMBL2653341

SCHEMBL2653341

CCCCCCC(Oc1ccc(C(=O)NCCC(=O)O)cc1)c1cnc(-c2ccc(C(F)(F)F)cc2)nc1.CCCCCCC(Oc1ccc(C(=O)NCCC(=O)OC)cc1)c1cnc(-c2ccc(C(F)(F)F)cc2)nc1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GCGR P47871 18/20 0.56
▸ GLP1R P43220 2/20 0.54
▸ GIPR P48546 1/20 0.54
▸ GCG P01275 5/20 0.54
▸ CHRM5 P08912 1/20 0.50

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
SCHEMBL2267446 0.97 GCGR (0.51) GCGRGLP1RGIPRGCGCHRM5
SCHEMBL2272694 0.96 GCGR (0.59) GCGRGLP1RGIPRGCGCHRM5
SCHEMBL2270639 0.96 GCGR (0.59) GCGRGLP1RGIPRGCGCHRM5
SCHEMBL2653064 0.90 GCGR (0.53) GCGRGLP1RGIPRGCG
SCHEMBL1765236 0.88 GCG (0.53) GCGRGLP1RGIPRGCGCHRM5
SCHEMBL2272042 0.88 GCG (0.53) GCGRGLP1RGIPRGCGCHRM5
SCHEMBL1765733 0.88 GCGR (0.54) GCGRGLP1RGIPRGCGCHRM5
SCHEMBL2267373 0.87 GCG (0.61) GCGRGLP1RGIPRGCGCHRM5
SCHEMBL18863591 0.87 GCG (0.61) GCGRGLP1RGIPRGCGCHRM5
SCHEMBL2268239 0.87 GCG (0.61) GCGRGLP1RGIPRGCGCHRM5

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-1758859-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2007-03-07 — — EP disclosed
WO-2005118542-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2005-12-15 — — WO disclosed