SCHEMBL14132001

SCHEMBL14132001

CCOC(=O)NC(=N)NOCCNC(=O)Cn1c(C)ccc(NS(=O)(=O)c2cccc(C)c2)c1=O

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F2 P00734 19/20 0.67
F10 P00742 2/20 0.67
PRSS1 P07477 12/20 0.47
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
FBP1 P09467 1/20 0.39

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
SCHEMBL14131773 0.94 F2 (0.69) F2F10PRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL5122843 0.90 F2 (0.70) F2F10PRSS1PRSS2PRSS3
SCHEMBL5753312 0.89 F2 (0.72) F2F10PRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL5116789 0.89 F2 (0.71) F2F10PRSS1PRSS2PRSS3
SCHEMBL5755835 0.88 F2 (0.78) F2F10PRSS1PRSS2PRSS3
SCHEMBL5756218 0.88 F2 (0.68) F2F10PRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL5851676 0.88 F2 (0.77) F2F10PRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL5123399 0.87 F2 (0.67) F2F10PRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL5118015 0.85 F2 (0.66) F2F10PRSS1PRSS2PRSS3
SCHEMBL14131865 0.85 F2 (0.61) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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