SCHEMBL2665164

SCHEMBL2665164

O=C(O)CCNC(=O)c1ccc(C(=O)/C(=C\C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccc3c(c2)CCCC3)cc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GCGR P47871 9/20 0.47
GIPR P48546 9/20 0.47
PPARD Q03181 1/20 0.47
DHODH Q02127 1/20 0.40
EPHX2 P34913 1/20 0.39
RHOC P08134 2/20 0.39
RHOA P61586 2/20 0.39
ALDH1A1 P00352 1/20 0.39
DPP4 P27487 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
GCG P01275 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
SCHEMBL2665226 0.86 FABP4 (0.43) GCGRGIPRALDH1A1
SCHEMBL2665086 0.85 GCGR (0.48) GCGRGIPRPPARD
SCHEMBL2665225 0.85 GCGR (0.52) GCGRGIPRDHODH
SCHEMBL2665222 0.85 KMT2A (0.41) GCGRGIPREPHX2ALDH1A1
SCHEMBL2665224 0.84 GCGR (0.43) GCGRGIPRALDH1A1
SCHEMBL2647975 0.84 GCGR (0.52) GCGRGIPRDHODH
SCHEMBL2655953 0.84 GCGR (0.52) GCGRGIPRDHODH
SCHEMBL2647981 0.84 GCGR (0.52) GCGRGIPRDHODH
SCHEMBL2655948 0.84 GCGR (0.52) GCGRGIPRDHODH
SCHEMBL2665228 0.84 GCGR (0.44) GCGRGIPRPPARDEPHX2ALDH1A1

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