SCHEMBL5755682

SCHEMBL5755682

CCc1ccc(NS(=O)(=O)c2cccc(C)c2)c(=O)n1CC(=O)NCCONC(=N)N

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F2 P00734 16/20 0.66
F10 P00742 6/20 0.66
PRSS1 P07477 11/20 0.46
FBP1 P09467 4/20 0.41

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 SCHEMBL5123592 0.94 F2 (0.60) F2F10PRSS1FBP1
SCHEMBL5753161 0.93 F2 (0.64) F2F10PRSS1FBP1
SCHEMBL5755835 0.91 F2 (0.78) F2F10PRSS1FBP1
Hydrochloric Acid SCHEMBL5851676 0.91 F2 (0.77) F2F10PRSS1FBP1
SCHEMBL5754216 0.87 F2 (0.65) F2F10PRSS1FBP1
Hydrochloric Acid SCHEMBL5851573 0.87 F2 (0.64) F2F10PRSS1FBP1
Trifluoroacetic Acid SCHEMBL5125241 0.86 F2 (0.70) F2F10PRSS1
Hydrochloric Acid SCHEMBL5122843 0.84 F2 (0.70) F2F10PRSS1FBP1
SCHEMBL5753312 0.84 F2 (0.72) F2F10PRSS1FBP1
Trifluoroacetic Acid SCHEMBL5754236 0.83 F2 (0.60) F2F10PRSS1FBP1

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