SCHEMBL2665137

SCHEMBL2665137

O=C(/C=C(\C(=O)c1ccc(C(=O)NC[C@@H](O)C(=O)O)cc1)c1ccc2c(c1)CCCC2)c1cccc(OC(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GCGR P47871 6/20 0.47
TRPV1 Q8NER1 3/20 0.40
MAPK14 Q16539 2/20 0.39
GIPR P48546 2/20 0.39
GPR139 Q6DWJ6 1/20 0.39
NAMPT P43490 1/20 0.38
TAOK1 Q7L7X3 1/20 0.37
TAOK3 Q9H2K8 1/20 0.37
CCR2 P41597 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 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
SCHEMBL2665135 0.98 GCGR (0.47) GCGRTRPV1MAPK14GIPRGPR139
SCHEMBL9071435 0.92 GCGR (0.53) GCGRTRPV1MAPK14GIPRTAOK1
SCHEMBL9071397 0.87 GCGR (0.46) GCGRTRPV1MAPK14GIPRNAMPT
SCHEMBL2665131 0.86 GCGR (0.46) GCGRTRPV1MAPK14GIPRGPR139
SCHEMBL2664963 0.85 GCGR (0.41) GCGRMAPK14GIPR
SCHEMBL9071398 0.85 GCGR (0.46) GCGRTRPV1MAPK14GIPRNAMPT
SCHEMBL2664962 0.84 GCGR (0.40) GCGRMAPK14GIPR
SCHEMBL2665121 0.84 GCGR (0.51) GCGRTRPV1MAPK14GIPR
SCHEMBL2665086 0.83 GCGR (0.48) GCGRMAPK14GIPR
SCHEMBL2665120 0.82 GCGR (0.49) GCGRTRPV1MAPK14GIPR

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