SCHEMBL879766

SCHEMBL879766

Cc1cc(OCCCO)cc(C)c1/C=C/S(=O)(=O)N1CCC2(CC1)N=C(c1cccc(C(F)(F)F)c1F)NC2=O

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTH1R Q03431 6/20 0.37
GRIN2B Q13224 3/20 0.32
PDK2 Q15119 1/20 0.31
MCL1 Q07820 1/20 0.31
NR1H2 P55055 1/20 0.30
NR1H3 Q13133 1/20 0.30

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
SCHEMBL850619 0.90 PTH1R (0.36) PTH1RGRIN2BPDK2
SCHEMBL850616 0.90 PTH1R (0.36) PTH1RGRIN2BPDK2
SCHEMBL850618 0.90 PTH1R (0.36) PTH1RGRIN2BPDK2
SCHEMBL850617 0.90 PTH1R (0.36) PTH1RGRIN2BPDK2
SCHEMBL848946 0.84 PTH1R (0.34) PTH1R
SCHEMBL848945 0.84 PTH1R (0.34) PTH1R
SCHEMBL880096 0.82 PTH1R (0.38) PTH1R
SCHEMBL848925 0.80 PTH1R (0.34) PTH1RGRIN2BPDK2
SCHEMBL848926 0.80 PTH1R (0.34) PTH1RGRIN2BPDK2
SCHEMBL847601 0.78 PTH1R (0.39) PTH1R

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