SCHEMBL880101

SCHEMBL880101

Cc1cc(OCCCO)cc(C)c1CCS(=O)(=O)N1CCC2(CC1)N=C(c1cccc(OCCCC(F)(F)C(F)(F)F)c1)NC2=O

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTH1R Q03431 12/20 0.52
MAPT P10636 1/20 0.31
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
MMP9 P14780 1/20 0.31
MMP14 P50281 1/20 0.31
NR1H2 P55055 1/20 0.31
NR1H3 Q13133 1/20 0.31

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
SCHEMBL849702 0.92 PTH1R (0.48) PTH1R
SCHEMBL849704 0.92 PTH1R (0.48) PTH1R
SCHEMBL849703 0.92 PTH1R (0.48) PTH1R
SCHEMBL847522 0.88 PTH1R (0.69) PTH1RMAPT
SCHEMBL16104852 0.87 PTH1R (0.52) PTH1RMAPT
SCHEMBL880096 0.86 PTH1R (0.38) PTH1RMMP1MMP2MMP3MMP9
SCHEMBL10291123 0.82 PTH1R (0.59) PTH1R
SCHEMBL848638 0.82 PTH1R (0.71) PTH1R
SCHEMBL847496 0.82 PTH1R (0.57) PTH1RMMP2MMP3
SCHEMBL16302341 0.81 PTH1R (0.52) PTH1RMAPT

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
WO-2010126030-A1 SPIROIMIDAZOLONE DERIVATIVE 中外製薬株式会社 (JP) 2010-11-04 WO disclosed