Meglumine

Meglumine

SCHEMBL2852826

CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.COc1ccc(C#Cc2ccc(CN(C(=O)CCC3CCCC3)c3ccc(C(=O)O)c(O)c3)cc2)cc1

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

TACR1TTRgyrAgyrBparCparE

The experimentally established mechanism targets of Meglumine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 19/20 0.47
STAT5B P51692 1/20 0.39
LTB4R2 Q9NPC1 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
SCHEMBL2853902 0.89 STAT3 (0.56) STAT3STAT5BLTB4R2
Meglumine SCHEMBL4456782 0.87 STAT3 (0.38) STAT3STAT5B
SCHEMBL2853550 0.81 STAT3 (0.46) STAT3STAT5B
SCHEMBL1733819 0.80 STAT3 (0.49) STAT3STAT5B
SCHEMBL1734773 0.79 STAT3 (0.50) STAT3STAT5B
SCHEMBL2853623 0.79 STAT3 (0.53) STAT3STAT5B
SCHEMBL1733846 0.77 PTPN11 (0.51) STAT3STAT5B
Meglumine SCHEMBL4452475 0.76 STAT3 (0.57) STAT3
Meglumine SCHEMBL4461973 0.75 CNR2 (0.45) STAT3STAT5B
SCHEMBL13711757 0.74 STAT3 (0.48) STAT3STAT5BLTB4R2

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
EP-1654247-B1 ALKYNYL ARYL CARBOXAMIDES MERCK SERONO SA (CH) 2010-01-20 EP disclosed