SCHEMBL2665225

SCHEMBL2665225

O=C(O)CCNC(=O)c1ccc(C(=O)/C(=C\C(=O)c2ccc(OC(F)(F)F)cc2)c2ccc3c(c2)CCCC3)cc1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GCGR P47871 14/20 0.52
GIPR P48546 5/20 0.52
TRPV1 Q8NER1 5/20 0.49
CYP3A4 P08684 1/20 0.46
CYP2C8 P10632 1/20 0.46
CYP2C9 P11712 1/20 0.46
KCNH2 Q12809 1/20 0.46
DHODH Q02127 1/20 0.46

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
SCHEMBL2655948 0.98 GCGR (0.52) GCGRGIPRTRPV1CYP3A4CYP2C8
SCHEMBL2655953 0.98 GCGR (0.52) GCGRGIPRTRPV1CYP3A4CYP2C8
SCHEMBL2647981 0.96 GCGR (0.52) GCGRGIPRTRPV1CYP3A4CYP2C8
SCHEMBL2647975 0.96 GCGR (0.52) GCGRGIPRTRPV1CYP3A4CYP2C8
SCHEMBL9071397 0.91 GCGR (0.46) GCGRGIPRTRPV1CYP3A4CYP2C8
SCHEMBL9071398 0.90 GCGR (0.46) GCGRGIPRTRPV1DHODH
SCHEMBL2647916 0.88 GCGR (0.53) GCGRGIPRTRPV1CYP3A4CYP2C8
SCHEMBL2647920 0.88 GCGR (0.53) GCGRGIPRTRPV1CYP3A4CYP2C8
SCHEMBL9071435 0.86 GCGR (0.53) GCGRGIPRTRPV1DHODH
SCHEMBL2665164 0.85 GCGR (0.47) GCGRGIPRDHODH

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