SCHEMBL6971958

SCHEMBL6971958

NC(=O)C(c1ccc2nc(N)nc(N)c2c1)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F2 P00734 8/20 0.42
TMPRSS11D O60235 11/20 0.38
F10 P00742 8/20 0.37
PLG P00747 7/20 0.37
PRSS1 P07477 5/20 0.37
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36

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
SCHEMBL6964921 0.90 F2 (0.41) F2TMPRSS11DF10PLGPRSS1
SCHEMBL6093307 0.80 ST14 (0.39) F2F10PLG
SCHEMBL6094675 0.71 MAP4K4 (0.46) F2
SCHEMBL6093293 0.69 F2 (0.46) F2TMPRSS11DF10PLGPRSS1
SCHEMBL6092574 0.69 XIAP (0.44) F2TMPRSS11DF10PLGPRSS1
SCHEMBL6094023 0.68 F2 (0.52) F2TMPRSS11DF10PLGPRSS1
SCHEMBL6219378 0.68 F2 (0.52) F2TMPRSS11DF10PLGPRSS1
SCHEMBL6093799 0.66 SCN4A (0.54) F2TMPRSS11DF10PLG
SCHEMBL10478603 0.66 ITGB3 (0.57) F2TMPRSS11DPLGITGB3ITGA2B
SCHEMBL7586431 0.66 F2 (0.69) F2TMPRSS11DF10PLGPRSS1

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
EP-1287018-A2 THROMBIN INHIBITORS Lek Pharmaceutical and Chemical Co. D.D. (SI) 2003-03-05 EP disclosed
WO-2001085760-A1 THROMBIN INHIBITORS LEK PHARMACEUTICAL & CHEMICAL CO. DD (SI) 2001-11-15 WO disclosed