SCHEMBL4305443

SCHEMBL4305443

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

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.42
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A3 Q01959 2/20 0.39
FFAR1 O14842 1/20 0.36
SCN9A Q15858 13/20 0.33
HRH3 Q9Y5N1 2/20 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
SCHEMBL1643663 0.74 MGAM (0.51) MGAMSCN9A
SCHEMBL4302007 0.74 MGAM (0.42) MGAMSCN9AHRH3
SCHEMBL4309914 0.72 MGAM (0.46) MGAMSCN9A
SCHEMBL12405037 0.67 MGAM (0.63) MGAM
SCHEMBL2211860 0.67 MGAM (0.58) MGAM
SCHEMBL69982 0.67 MGAM (0.58) MGAM
SCHEMBL9220609 0.66 MGAM (0.61) MGAMSLC6A2SLC6A4SLC6A3HRH3
SCHEMBL1000331 0.66 MGAM (0.56) MGAM
SCHEMBL15484343 0.66 MGAM (0.56) MGAM
SCHEMBL10465204 0.66 MGAM (0.56) MGAMSLC6A2SLC6A4SLC6A3HRH3

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