SCHEMBL5754173

SCHEMBL5754173

Cc1ccc(NS(=O)(=O)Cc2cccc(Cl)c2Cl)c(=O)n1CC(=O)NCCONC(=N)N

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F2 P00734 20/20 0.51
F10 P00742 2/20 0.51
PRSS1 P07477 12/20 0.51
PRSS2 P07478 3/20 0.50
PRSS3 P35030 3/20 0.50

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
Trifluoroacetic Acid SCHEMBL5124943 0.95 F2 (0.48) F2F10PRSS1PRSS2PRSS3
SCHEMBL5753472 0.93 F2 (0.55) F2F10PRSS1PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL5116965 0.88 F2 (0.53) F2F10PRSS1PRSS2PRSS3
SCHEMBL5754215 0.88 F2 (0.56) F2F10PRSS1PRSS2PRSS3
SCHEMBL14131986 0.88 F2 (0.54) F2F10PRSS1PRSS2PRSS3
SCHEMBL5755919 0.88 F2 (0.54) F2F10PRSS1PRSS2PRSS3
SCHEMBL5755847 0.87 F2 (0.52) F2F10PRSS1PRSS2PRSS3
SCHEMBL5755992 0.87 F2 (0.62) F2F10PRSS1PRSS2PRSS3
SCHEMBL5755807 0.87 F2 (0.56) F2F10PRSS1PRSS2PRSS3
SCHEMBL5753975 0.87 F2 (0.57) F2F10PRSS1PRSS2PRSS3

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-1036063-B1 HETEROARYL AMINOGUANIDINES AND ALKOXYGUANIDINES AND THEIR USE AS PROTEASE INHIBITORS ORTHO MCNEIL PHARM INC (US) 2006-11-02 EP claimed
US-7402586-B2 Heteroaryl aminoguanidines and alkoxyguanidines and their use as protease inhibitors ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2008-07-22 US disclosed
US-7402586-B2 Heteroaryl aminoguanidines and alkoxyguanidines and their use as protease inhibitors ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2008-07-22 US disclosed