SCHEMBL879618

SCHEMBL879618

CNC(=O)c1ccc(CCS(=O)(=O)N2CCC3(CC2)N=C(c2cccc(C)c2C)NC3=O)c(C)c1

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTH1R Q03431 12/20 0.51
SLC6A9 P48067 3/20 0.34
SCN9A Q15858 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
SCHEMBL849372 0.89 PTH1R (0.49) PTH1RSLC6A9
SCHEMBL848105 0.86 PTH1R (0.69) PTH1R
SCHEMBL879689 0.85 PTH1R (0.50) PTH1RSLC6A9
SCHEMBL879608 0.84 PTH1R (0.49) PTH1RSLC6A9
SCHEMBL846716 0.83 PTH1R (0.48) PTH1RSLC6A9
SCHEMBL16302128 0.83 PTH1R (0.47) PTH1RSLC6A9
SCHEMBL847202 0.82 PTH1R (0.47) PTH1RSLC6A9
SCHEMBL16302171 0.80 PTH1R (0.46) PTH1RSLC6A9
SCHEMBL849803 0.80 PTH1R (0.46) PTH1RSLC6A9
SCHEMBL13064502 0.79 PTH1R (0.47) PTH1RSLC6A9

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-2433940-A1 SPIROIMIDAZOLONE DERIVATIVE Chugai Seiyaku Kabushiki Kaisha (JP) 2012-03-28 EP disclosed