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Sugi Predict / Compounds / SCHEMBL2653064

SCHEMBL2653064

SCHEMBL2653064

CC(C)(C)c1ccc(C(Oc2ccc(C(=O)NCCC(=O)O)cc2)c2ccc(-c3ccc(C(F)(F)F)cc3)nc2)cc1.CCCCCCC(Oc1ccc(C(=O)NCCC(=O)OC)cc1)c1cnc(-c2ccc(C(F)(F)F)cc2)nc1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ GCGR P47871 17/20 0.53
▸ GCG P01275 6/20 0.50
▸ GLP1R P43220 1/20 0.47
▸ GIPR P48546 1/20 0.47

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
SCHEMBL2653341 0.90 GCGR (0.56) GCGRGCGGLP1RGIPR
SCHEMBL2652223 0.89 GCGR (0.51) GCGRGCGGLP1RGIPR
SCHEMBL2272042 0.88 GCG (0.53) GCGRGCGGLP1RGIPR
SCHEMBL1765236 0.88 GCG (0.53) GCGRGCGGLP1RGIPR
SCHEMBL18863591 0.87 GCG (0.61) GCGRGCGGLP1RGIPR
SCHEMBL2268239 0.87 GCG (0.61) GCGRGCGGLP1RGIPR
SCHEMBL2268236 0.87 GCG (0.61) GCGRGCGGLP1RGIPR
SCHEMBL2267373 0.87 GCG (0.61) GCGRGCGGLP1RGIPR
SCHEMBL2267380 0.87 GCG (0.61) GCGRGCGGLP1RGIPR
SCHEMBL2267446 0.87 GCGR (0.51) GCGRGCGGLP1RGIPR

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