SCHEMBL2665079

SCHEMBL2665079

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

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GCGR P47871 7/20 0.43
GIPR P48546 5/20 0.43
EPHX2 P34913 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
KCNK2 O95069 5/20 0.35
KCNK10 P57789 4/20 0.35
CHRM4 P08173 1/20 0.34
MAPK14 Q16539 1/20 0.34
NAMPT P43490 1/20 0.34
PPARD Q03181 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GLP1R P43220 2/20 0.33

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
SCHEMBL9071438 0.98 GCGR (0.45) GCGRGIPREPHX2NR1H4OPRM1
SCHEMBL2664962 0.92 GCGR (0.40) GCGRGIPROPRM1OPRD1MAPK14
SCHEMBL2664963 0.90 GCGR (0.41) GCGRGIPRMAPK14PPARDGLP1R
SCHEMBL2665228 0.86 GCGR (0.44) GCGRGIPREPHX2NR1H4KCNK2
SCHEMBL2665084 0.86 GCGR (0.42) GCGRGIPROPRM1OPRD1MAPK14
SCHEMBL2665080 0.85 GCGR (0.44) GCGRGIPROPRM1OPRD1MAPK14
SCHEMBL9071435 0.84 GCGR (0.53) GCGRGIPREPHX2NR1H4OPRM1
SCHEMBL2665086 0.84 GCGR (0.48) GCGRGIPROPRM1OPRD1MAPK14
SCHEMBL2665091 0.84 GCGR (0.42) GCGRGIPREPHX2NR1H4OPRM1
SCHEMBL9071390 0.83 GCGR (0.42) GCGRGIPREPHX2NR1H4KCNK2

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