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SCHEMBL2665086

SCHEMBL2665086

O=C(/C=C(\C(=O)c1ccc(C(=O)NC[C@@H](O)C(=O)O)cc1)c1ccc2c(c1)CCCC2)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GCGR P47871 14/20 0.48
▸ GIPR P48546 11/20 0.43
▸ GLP1R P43220 2/20 0.43
▸ PPARD Q03181 1/20 0.41
▸ TACR1 P25103 1/20 0.41
▸ MAPK14 Q16539 1/20 0.35
▸ MLYCD O95822 1/20 0.34
▸ OPRM1 P35372 1/20 0.34
▸ OPRD1 P41143 1/20 0.34

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
SCHEMBL2665091 0.87 GCGR (0.42) GCGRGIPRGLP1RMAPK14OPRM1
SCHEMBL9071436 0.86 GCGR (0.43) GCGRGIPRGLP1RMAPK14OPRM1
SCHEMBL9071435 0.86 GCGR (0.53) GCGRGIPRMAPK14OPRM1OPRD1
SCHEMBL9071438 0.86 GCGR (0.45) GCGRGIPRGLP1RPPARDMAPK14
SCHEMBL2665164 0.85 GCGR (0.47) GCGRGIPRPPARD
SCHEMBL2665084 0.85 GCGR (0.42) GCGRGIPRGLP1RMAPK14OPRM1
SCHEMBL2665079 0.84 GCGR (0.43) GCGRGIPRGLP1RPPARDMAPK14
SCHEMBL2664963 0.83 GCGR (0.41) GCGRGIPRGLP1RPPARDMAPK14
SCHEMBL2665137 0.83 GCGR (0.47) GCGRGIPRMAPK14
SCHEMBL2665080 0.83 GCGR (0.44) GCGRGIPRGLP1RMAPK14OPRM1

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-2003048109-A1 NOVEL GLUCAGON ANTAGONISTS NOVO NORDISK A/S (DK) 2003-06-12 — — WO disclosed