SCHEMBL9071397

SCHEMBL9071397

O=C(O)CCNC(=O)c1ccc(C(=O)/C(=C\C(=O)c2cccc(OC(F)(F)F)c2)c2ccc3c(c2)CCCC3)cc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GCGR P47871 12/20 0.46
GIPR P48546 5/20 0.46
NAMPT P43490 1/20 0.43
TRPV1 Q8NER1 4/20 0.42
DHODH Q02127 1/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2C8 P10632 1/20 0.41
CYP2C9 P11712 1/20 0.41
KCNH2 Q12809 1/20 0.41
MAPK14 Q16539 2/20 0.40

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
SCHEMBL9071398 0.98 GCGR (0.46) GCGRGIPRNAMPTTRPV1DHODH
SCHEMBL2665225 0.91 GCGR (0.52) GCGRGIPRTRPV1DHODHCYP3A4
SCHEMBL2647975 0.91 GCGR (0.52) GCGRGIPRTRPV1DHODHCYP3A4
SCHEMBL2647981 0.91 GCGR (0.52) GCGRGIPRTRPV1DHODHCYP3A4
SCHEMBL2655948 0.90 GCGR (0.52) GCGRGIPRTRPV1DHODHCYP3A4
SCHEMBL2655953 0.90 GCGR (0.52) GCGRGIPRTRPV1DHODHCYP3A4
SCHEMBL6917434 0.88 GCGR (0.50) GCGRGIPRTRPV1CYP3A4CYP2C8
SCHEMBL2664934 0.88 GCGR (0.50) GCGRGIPRTRPV1CYP3A4CYP2C8
SCHEMBL2665137 0.87 GCGR (0.47) GCGRGIPRNAMPTTRPV1MAPK14
SCHEMBL2665161 0.85 GCGR (0.51) GCGRGIPRNAMPTCYP3A4CYP2C8

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