SCHEMBL4302007

SCHEMBL4302007

O=C(O)c1ccc2cc(CC(O)C3CC3)ccc2n1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.42
HRH3 Q9Y5N1 4/20 0.34
ITGB1 P05556 1/20 0.34
ITGAV P06756 1/20 0.34
ABL1 P00519 4/20 0.34
HCAR2 Q8TDS4 1/20 0.33
SCN7A Q01118 1/20 0.33
KCNH2 Q12809 1/20 0.33
SCN9A Q15858 1/20 0.32
IGFBP3 P17936 1/20 0.32
IGFBP5 P24593 1/20 0.32

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
SCHEMBL4301102 0.81 MGAM (0.46) MGAMITGB1ITGAVHCAR2SCN9A
SCHEMBL31688776 0.77 PKM (0.55) MGAMKCNH2
SCHEMBL15045025 0.74 MGAM (0.51) MGAMHCAR2IGFBP3IGFBP5
SCHEMBL4305443 0.74 MGAM (0.42) MGAMHRH3SCN9A
SCHEMBL6937399 0.71 MGAM (0.47) MGAMIGFBP3IGFBP5
SCHEMBL27678768 0.70 ANPEP (0.49)
SCHEMBL12405037 0.67 MGAM (0.63) MGAM
SCHEMBL2211860 0.67 MGAM (0.58) MGAM
SCHEMBL69982 0.67 MGAM (0.58) MGAM
SCHEMBL4309914 0.67 MGAM (0.46) MGAMSCN9A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2024272-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME Renovis, Inc. (US) 2009-02-18 EP claimed
WO-2007133637-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2007-11-22 WO claimed
EP-2024272-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME Renovis, Inc. (US) 2009-02-18 EP disclosed
WO-2007133637-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2007-11-22 WO disclosed