SCHEMBL16358652

SCHEMBL16358652

Cc1cc(OCC(O)CO)cc(C)c1/C=C/S(=O)(=O)N1CCC2(CC1)N=C(c1cccc(OCCCC(F)(F)C(F)(F)F)c1)NC2=O

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTH1R Q03431 6/20 0.36
PIK3CG P48736 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
PDK2 Q15119 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
SCHEMBL849215 1.00 PTH1R (0.36) PTH1RPIK3CGTSHRMAPK1PDK2
SCHEMBL849213 1.00 PTH1R (0.36) PTH1RPIK3CGTSHRMAPK1PDK2
SCHEMBL849214 1.00 PTH1R (0.36) PTH1RPIK3CGTSHRMAPK1PDK2
SCHEMBL849216 1.00 PTH1R (0.36) PTH1RPIK3CGTSHRMAPK1PDK2
SCHEMBL880096 0.92 PTH1R (0.38) PTH1R
SCHEMBL849703 0.87 PTH1R (0.48) PTH1RTSHRMAPK1PDK2
SCHEMBL849702 0.87 PTH1R (0.48) PTH1RTSHRMAPK1PDK2
SCHEMBL849704 0.87 PTH1R (0.48) PTH1RTSHRMAPK1PDK2
SCHEMBL13554020 0.87 PTH1R (0.37) PTH1R
SCHEMBL13554021 0.85 PTH1R (0.52) 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 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