SCHEMBL8089145

SCHEMBL8089145

CNC(=N)N(CS(=O)(=O)O)C(=O)NCc1ccc(C(C)C)c(S(C)(=O)=O)c1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 2/20 0.39
SLC9A2 Q9UBY0 1/20 0.35
ERCC1 P07992 1/20 0.32
ERCC4 Q92889 1/20 0.32
TSHR P16473 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
SCHEMBL7995153 0.79 SLC9A1 (0.49) SLC9A1SLC9A2ERCC1ERCC4TSHR
SCHEMBL3973208 0.70 SLC9A1 (0.54) SLC9A1SLC9A2
SCHEMBL8007941 0.66 SLC9A1 (0.49) SLC9A1SLC9A2
SCHEMBL20150118 0.65 SLC9A1 (0.47) SLC9A1SLC9A2
SCHEMBL8007038 0.63 SLC9A1 (0.48) SLC9A1SLC9A2
SCHEMBL8097928 0.62 SLC9A1 (0.53) SLC9A1SLC9A2
Hydrochloric Acid SCHEMBL8004966 0.62 SLC9A1 (0.47) SLC9A1SLC9A2
SCHEMBL8097379 0.61 SLC9A1 (0.50) SLC9A1SLC9A2
SCHEMBL27524440 0.61 SLC9A1 (0.40) SLC9A1SLC9A2
Cariporide SCHEMBL221094 0.60 SLC9A1 (0.63) SLC9A1SLC9A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0748795-B1 Substituted benzyloxycarbonyl guanidines as Na+/H+ exchange inhibitors, process for their preparation, their use as medicinal or diagnostic agents as well as medicament containing them HOECHST AG (DE) 2000-08-23 EP claimed
EP-0748795-A2 Substituted benzyloxycarbonyl guanidines as Na+/H+ exchange inhibitors, process for their preparation, their use as medicinal or diagnostic agents as well as medicament containing them HOECHST AKTIENGESELLSCHAFT (DE) 1996-12-18 EP claimed
EP-0748795-B1 Substituted benzyloxycarbonyl guanidines as Na+/H+ exchange inhibitors, process for their preparation, their use as medicinal or diagnostic agents as well as medicament containing them HOECHST AG (DE) 2000-08-23 EP disclosed
EP-0748795-A2 Substituted benzyloxycarbonyl guanidines as Na+/H+ exchange inhibitors, process for their preparation, their use as medicinal or diagnostic agents as well as medicament containing them HOECHST AKTIENGESELLSCHAFT (DE) 1996-12-18 EP disclosed