SCHEMBL2665131

SCHEMBL2665131

O=C(/C=C(\C(=O)c1ccc(C(=O)NC[C@@H](O)C(=O)O)cc1)c1ccc(-c2ccccc2)cc1)c1cccc(OC(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GCGR P47871 7/20 0.46
ROCK2 O75116 1/20 0.44
ROCK1 Q13464 1/20 0.44
MAPK14 Q16539 1/20 0.44
GPR139 Q6DWJ6 1/20 0.43
IGF2BP2 Q9Y6M1 1/20 0.42
GIPR P48546 2/20 0.41
NAMPT P43490 1/20 0.39
KAT6A Q92794 1/20 0.39
HDAC8 Q9BY41 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
CHRM3 P20309 1/20 0.38
DDR1 Q08345 1/20 0.37
EPHX2 P34913 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37

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
SCHEMBL2665119 0.91 GCGR (0.51) GCGRMAPK14IGF2BP2GIPRTRPV1
SCHEMBL2647008 0.91 GCGR (0.51) GCGRMAPK14IGF2BP2GIPRTRPV1
SCHEMBL2647002 0.91 GCGR (0.51) GCGRMAPK14IGF2BP2GIPRTRPV1
SCHEMBL2665135 0.86 GCGR (0.47) GCGRROCK2ROCK1MAPK14GPR139
SCHEMBL2665137 0.86 GCGR (0.47) GCGRROCK2ROCK1MAPK14GPR139
SCHEMBL2665161 0.86 GCGR (0.51) GCGRROCK2ROCK1MAPK14IGF2BP2
SCHEMBL2665047 0.84 GCGR (0.45) GCGRMAPK14GIPRTRPV1EPHX2
SCHEMBL9071437 0.81 GCGR (0.58) GCGRGIPRTRPV1EPHX2
SCHEMBL2665219 0.80 GCGR (0.58) GCGRGIPRTRPV1EPHX2
SCHEMBL6917347 0.80 GCGR (0.58) GCGRGIPRTRPV1EPHX2

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