SCHEMBL9072804

SCHEMBL9072804

N=N/C(=N\N)NC(=O)c1ccc(CN(C(=O)/C=C/c2ccccc2Br)c2ccc(C3CCCCC3)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GCGR P47871 9/20 0.42
GIPR P48546 7/20 0.42
STAT3 P40763 7/20 0.41
OPRM1 P35372 1/20 0.35
OPRK1 P41145 1/20 0.35
HDAC1 Q13547 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.33

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
SCHEMBL9072820 0.91 GCGR (0.42) GCGRGIPRSTAT3TRPM8
SCHEMBL2663331 0.89 STAT3 (0.40) GCGRGIPRSTAT3OPRM1OPRK1
SCHEMBL9072933 0.86 GCGR (0.43) GCGRGIPRSTAT3
SCHEMBL2663352 0.82 STAT3 (0.54) GCGRGIPRSTAT3OPRM1OPRK1
SCHEMBL2663358 0.80 STAT3 (0.55) GCGRGIPRSTAT3OPRM1OPRK1
SCHEMBL4091700 0.79 GCGR (0.56) GCGRGIPRSTAT3
SCHEMBL4091698 0.79 GCGR (0.56) GCGRGIPRSTAT3
SCHEMBL2663367 0.79 STAT3 (0.47) GCGRGIPRSTAT3OPRM1OPRK1
SCHEMBL2663199 0.78 HDAC1 (0.37) HDAC1HDAC8HDAC6TRPM8
SCHEMBL2663582 0.78 STAT3 (0.45) GCGRGIPRSTAT3OPRM1OPRK1

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