SCHEMBL848706

SCHEMBL848706

Cc1cc(C(=O)N2CCN(C(=O)O)CC2)cc(C)c1C=CS(=O)(=O)N1CCC2(CC1)N=C(c1cccc(OC(F)(F)F)c1)NC2=O

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTH1R Q03431 6/20 0.44
MGLL Q99685 4/20 0.43
SLC6A7 Q99884 1/20 0.39
ABL1 P00519 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
SCN9A Q15858 3/20 0.34
PKLR P30613 1/20 0.34

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
SCHEMBL848986 0.94 PTH1R (0.44) PTH1RMGLLSLC6A7ABL1SCN9A
SCHEMBL848985 0.94 PTH1R (0.44) PTH1RMGLLSLC6A7ABL1SCN9A
SCHEMBL850216 0.94 PTH1R (0.47) PTH1RMGLLSLC6A7ABL1SCN9A
SCHEMBL850215 0.94 PTH1R (0.47) PTH1RMGLLSLC6A7ABL1SCN9A
SCHEMBL13552171 0.93 PTH1R (0.44) PTH1RMGLLSLC6A7ABL1SCN9A
SCHEMBL849317 0.92 PTH1R (0.44) PTH1RMGLLSLC6A7ABL1SCN9A
SCHEMBL849318 0.92 PTH1R (0.44) PTH1RMGLLSLC6A7ABL1SCN9A
SCHEMBL851793 0.92 PTH1R (0.46) PTH1RMGLLSLC6A7ABL1SCN9A
SCHEMBL851792 0.92 PTH1R (0.46) PTH1RMGLLSLC6A7ABL1SCN9A
Hydrochloric Acid SCHEMBL848545 0.92 PTH1R (0.44) PTH1RMGLLSLC6A7ABL1SCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2433940-B9 SPIROIMIDAZOLONE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2015-10-28 EP disclosed
EP-2433940-B1 SPIROIMIDAZOLONE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2014-09-24 EP disclosed
EP-2433940-A1 SPIROIMIDAZOLONE DERIVATIVE Chugai Seiyaku Kabushiki Kaisha (JP) 2012-03-28 EP disclosed