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SCHEMBL2651706

SCHEMBL2651706

COc1cc(C(F)(F)F)cc2nc(NC(=O)NC(c3ccc(C(=O)NCCC(=O)O)cc3)c3ccc(C4=CCCCC4)cc3)sc12.O=C(O)CCNC(=O)c1ccc(C(NC(=O)Nc2nc3c(Cl)cc(Cl)cc3s2)c2ccc(C3=CCCCC3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GCGR P47871 19/20 0.41
▸ GIPR P48546 10/20 0.41
▸ GLP1R P43220 2/20 0.40
▸ VIPR2 P41587 1/20 0.40
▸ GCG P01275 1/20 0.36

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
SCHEMBL6752807 0.92 GCGR (0.47) GCGRGIPRGLP1RVIPR2GCG
SCHEMBL6752813 0.87 GCGR (0.50) GCGRGIPRGLP1R
SCHEMBL2651999 0.85 GCGR (0.49) GCGRGIPRGLP1RGCG
SCHEMBL2662393 0.84 GCGR (0.49) GCGRGIPRGLP1RGCG
SCHEMBL6752776 0.84 GCGR (0.52) GCGRGIPRGLP1RGCG
SCHEMBL6750336 0.84 GCGR (0.50) GCGRGIPRGLP1R
SCHEMBL2650180 0.83 GCGR (0.49) GCGRGIPRGLP1R
SCHEMBL6752133 0.82 GCGR (0.49) GCGRGIPRGLP1RGCG
SCHEMBL2651502 0.81 GCGR (0.47) GCGRGIPRGLP1RGCG
SCHEMBL6754061 0.80 GCGR (0.52) 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