SCHEMBL2663582

SCHEMBL2663582

N=N/C(=N\N)NC(=O)c1ccc(CN(C(=O)CCCc2ccccc2)c2ccc(C3CCCCC3)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 9/20 0.45
GCGR P47871 7/20 0.43
GIPR P48546 5/20 0.42
LTB4R2 Q9NPC1 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRK1 P41145 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
EPHX2 P34913 1/20 0.38
STAT1 P42224 1/20 0.38
STAT5B P51692 1/20 0.38

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
SCHEMBL2663321 0.87 STAT3 (0.49) STAT3GCGRGIPRSTAT1STAT5B
SCHEMBL2663379 0.87 STAT3 (0.45) STAT3GCGRGIPROPRM1OPRK1
SCHEMBL2663367 0.86 STAT3 (0.47) STAT3GCGRGIPRLTB4R2OPRM1
SCHEMBL2663358 0.86 STAT3 (0.55) STAT3GCGRGIPROPRM1OPRK1
SCHEMBL2663352 0.84 STAT3 (0.54) STAT3GCGRGIPROPRM1OPRK1
SCHEMBL2663309 0.83 STAT3 (0.46) STAT3GCGRGIPR
SCHEMBL2663183 0.80 GCGR (0.41) STAT3GCGRGIPR
SCHEMBL9072944 0.79 GCGR (0.41) STAT3GCGRGIPR
SCHEMBL2663354 0.79 GCGR (0.50) STAT3GCGRGIPR
SCHEMBL2663189 0.78 GCGR (0.57) STAT3GCGRGIPR

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