SCHEMBL2665223

SCHEMBL2665223

O=C(O)CCNC(=O)c1ccc(C(=O)/C(=C\C(=O)c2ccc(-c3ccccc3)cc2)c2ccc3c(c2)CCC3)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 6/20 0.43
GIPR P48546 5/20 0.43
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
MAPK14 Q16539 1/20 0.41
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
TP53 P04637 1/20 0.39
GAA P10253 1/20 0.39
NFKB1 P19838 1/20 0.39
HTT P42858 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
HDAC6 Q9UBN7 3/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39

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
SCHEMBL2665224 0.98 GCGR (0.43) GCGRGIPRNPC1RAB9AMAPK14
SCHEMBL2665222 0.87 KMT2A (0.41) GCGRGIPRNPC1RAB9AKMT2A
SCHEMBL2665080 0.85 GCGR (0.44) GCGRGIPRNPC1RAB9AMAPK14
SCHEMBL2665226 0.84 FABP4 (0.43) GCGRGIPRNPC1RAB9ANFKB1
SCHEMBL2665228 0.84 GCGR (0.44) GCGRGIPRNPC1RAB9AMAPK14
SCHEMBL2655953 0.84 GCGR (0.52) GCGRGIPR
SCHEMBL2655948 0.84 GCGR (0.52) GCGRGIPR
SCHEMBL2665225 0.82 GCGR (0.52) GCGRGIPR
SCHEMBL2665164 0.82 GCGR (0.47) GCGRGIPRGCG
SCHEMBL9071388 0.82 GCGR (0.53) GCGRGIPRNPC1RAB9ASMN1; SMN2

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