SCHEMBL2664962

SCHEMBL2664962

O=C(/C=C(\C(=O)c1ccc(C(=O)NC[C@@H](O)C(=O)O)cc1)c1ccc2c(c1)CCC2)c1cccc(SC(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GCGR P47871 12/20 0.40
GIPR P48546 10/20 0.40
MAPK14 Q16539 1/20 0.34
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TP53 P04637 1/20 0.33
GAA P10253 1/20 0.33
NFKB1 P19838 1/20 0.33
HTT P42858 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 1/20 0.32
PPARD Q03181 1/20 0.32

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
SCHEMBL2664963 0.98 GCGR (0.41) GCGRGIPRMAPK14KMT2APPARD
SCHEMBL2665079 0.92 GCGR (0.43) GCGRGIPRMAPK14OPRM1OPRD1
SCHEMBL9071438 0.90 GCGR (0.45) GCGRGIPRMAPK14OPRM1OPRD1
SCHEMBL9071416 0.87 GCGR (0.40) GCGRGIPRMAPK14NPC1RAB9A
SCHEMBL2665135 0.85 GCGR (0.47) GCGRGIPRMAPK14OPRM1OPRD1
SCHEMBL9071414 0.85 GCGR (0.42) GCGRGIPRMAPK14NPC1RAB9A
SCHEMBL2665050 0.84 GCGR (0.55) GCGRGIPRPPARD
SCHEMBL2665137 0.84 GCGR (0.47) GCGRGIPRMAPK14
SCHEMBL2665047 0.84 GCGR (0.45) GCGRGIPRMAPK14
SCHEMBL2665080 0.82 GCGR (0.44) GCGRGIPRMAPK14OPRM1OPRD1

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