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Sugi Predict / Compounds / SCHEMBL2661602

SCHEMBL2661602

SCHEMBL2661602

CC(C)(C)c1cccc(NC(=O)N(Cc2ccc(C(=O)NCCC(=O)OC(=O)CCNC(=O)c3ccc(CN(C(=O)Nc4cccc(S(C)(=O)=O)c4)c4ccc(C5=CCCCC5)cc4)cc3)cc2)c2ccc(C3CCCCC3)cc2)c1

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ GCGR P47871 20/20 0.59
▸ GIPR P48546 18/20 0.59
▸ GLP1R P43220 5/20 0.49

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
SCHEMBL2661600 0.94 GCGR (0.62) GCGRGIPRGLP1R
SCHEMBL2654300 0.86 GCGR (0.55) GCGRGIPRGLP1R
SCHEMBL2651117 0.85 GCGR (0.59) GCGRGIPRGLP1R
SCHEMBL2651295 0.83 GCGR (0.64) GCGRGIPRGLP1R
SCHEMBL7101506 0.83 GCGR (0.57) GCGRGIPRGLP1R
SCHEMBL2650816 0.83 GCGR (0.52) GCGRGIPRGLP1R
SCHEMBL2666039 0.82 GCGR (0.71) GCGRGIPRGLP1R
SCHEMBL2663334 0.82 GCGR (0.73) GCGRGIPRGLP1R
SCHEMBL2650522 0.82 GCGR (0.59) GCGRGIPRGLP1R
SCHEMBL6748287 0.81 GCGR (0.78) GCGRGIPRGLP1R

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-2002040444-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2002-05-23 — — WO claimed