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SCHEMBL2663442

SCHEMBL2663442

C[S+]([O-])c1cccc(CN(Cc2ccc(C(=O)NCCC(=O)O)cc2)C2CCC(C(C)(C)C)CC2)c1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GCGR P47871 20/20 0.58
▸ GIPR P48546 3/20 0.54
▸ ADCY6 O43306 1/20 0.52
▸ ADCY3 O60266 1/20 0.52
▸ ADCY9 O60503 1/20 0.52
▸ ADCY5 O95622 1/20 0.52
▸ ADCY8 P40145 1/20 0.52
▸ GLP1R P43220 1/20 0.52
▸ ADCY7 P51828 1/20 0.52
▸ ADCY2 Q08462 1/20 0.52
▸ ADCY1 Q08828 1/20 0.52
▸ ADCY4 Q8NFM4 1/20 0.52

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
SCHEMBL4096698 0.84 GCGR (0.59) GCGRGIPRADCY6ADCY3ADCY9
SCHEMBL4096694 0.84 GCGR (0.59) GCGRGIPRADCY6ADCY3ADCY9
SCHEMBL4081390 0.81 GCGR (0.73) GCGRGIPRADCY6ADCY3ADCY9
SCHEMBL4081386 0.81 GCGR (0.73) GCGRGIPRADCY6ADCY3ADCY9
SCHEMBL13800694 0.81 GCGR (0.79) GCGRGIPRADCY6ADCY3ADCY9
SCHEMBL2663523 0.78 GCGR (0.77) GCGRGIPRADCY6ADCY3ADCY9
SCHEMBL2663393 0.75 GCGR (0.74) GCGRGIPRADCY6ADCY3ADCY9
SCHEMBL4090999 0.74 GCGR (0.78) GCGRGIPRADCY6ADCY3ADCY9
SCHEMBL13800590 0.74 GCGR (0.47) GCGRGIPRADCY6ADCY3ADCY9
SCHEMBL4091685 0.74 GCGR (0.78) GCGRGIPRADCY6ADCY3ADCY9

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2000069810-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2000-11-23 — — WO disclosed