SCHEMBL879689

SCHEMBL879689

CNC(=O)c1ccc(CCS(=O)(=O)N2CCC3(CC2)N=C(c2ccc(Cl)cc2)NC3=O)c(C)c1

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTH1R Q03431 12/20 0.50
IP6K1 Q92551 2/20 0.40
SLC6A9 P48067 3/20 0.37

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
SCHEMBL879608 0.92 PTH1R (0.49) PTH1RIP6K1SLC6A9
SCHEMBL847377 0.89 PTH1R (0.51) PTH1RSLC6A9
SCHEMBL16302171 0.88 PTH1R (0.46) PTH1RIP6K1SLC6A9
SCHEMBL879618 0.85 PTH1R (0.51) PTH1RSLC6A9
SCHEMBL16302128 0.84 PTH1R (0.47) PTH1RSLC6A9
SCHEMBL13064502 0.84 PTH1R (0.47) PTH1RSLC6A9
SCHEMBL16358089 0.82 PTH1R (0.52) PTH1RSLC6A9
SCHEMBL848511 0.81 PTH1R (0.48) PTH1RSLC6A9
SCHEMBL849414 0.81 PTH1R (0.48) PTH1RSLC6A9
SCHEMBL849390 0.80 PTH1R (0.48) 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