SCHEMBL2663060

SCHEMBL2663060

N=C(/N=N\N)NC(=O)c1ccc(CN(C(=O)Nc2ccccc2)c2ccc(C3CCCCC3)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GCGR P47871 11/20 0.54
GIPR P48546 8/20 0.54
STAT3 P40763 4/20 0.48
UBE2M P61081 1/20 0.42
DCUN1D1 Q96GG9 1/20 0.42
HDAC3 O15379 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
DEGS1 O15121 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRK1 P41145 1/20 0.39
NAMPT P43490 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
SCHEMBL2663171 0.90 GCGR (0.55) GCGRGIPRSTAT3UBE2MDCUN1D1
SCHEMBL2663327 0.88 GCGR (0.52) GCGRGIPRSTAT3OPRM1OPRK1
SCHEMBL2663198 0.88 GCGR (0.58) GCGRGIPRSTAT3UBE2MDCUN1D1
SCHEMBL2663351 0.88 GCGR (0.52) GCGRGIPRSTAT3
SCHEMBL2663084 0.88 GCGR (0.52) GCGRGIPRSTAT3OPRM1OPRK1
SCHEMBL2663341 0.88 GCGR (0.52) GCGRGIPRSTAT3OPRM1OPRK1
SCHEMBL9072918 0.88 GCGR (0.67) GCGRGIPRSTAT3UBE2MDCUN1D1
SCHEMBL2663062 0.88 GCGR (0.69) GCGRGIPRSTAT3
SCHEMBL2663151 0.88 GCGR (0.53) GCGRGIPRSTAT3HDAC3HDAC11
SCHEMBL2663089 0.86 GCGR (0.51) GCGRGIPRSTAT3

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-2000069810-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2000-11-23 WO disclosed