SCHEMBL7355230

SCHEMBL7355230

CC(C)NS(=O)(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@@]1(CC(=O)O)C(=O)NCc1ccc(C(=N)N)cc1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F2 P00734 14/20 0.44
TMPRSS6 Q8IU80 4/20 0.44
PROC P04070 4/20 0.44
TMPRSS11D O60235 1/20 0.41
HPN P05981 1/20 0.40
HGFAC Q04756 1/20 0.40
ST14 Q9Y5Y6 1/20 0.40
F10 P00742 1/20 0.40

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
SCHEMBL7362891 0.92 F2 (0.44) F2TMPRSS6PROCTMPRSS11DHPN
SCHEMBL7362804 0.90 F2 (0.44) F2TMPRSS6PROCTMPRSS11DHPN
SCHEMBL8023156 0.89 F2 (0.48) F2TMPRSS6PROCTMPRSS11DF10
SCHEMBL8019344 0.88 ITGB3 (0.44) F2TMPRSS6PROCTMPRSS11DF10
SCHEMBL7362868 0.87 F2 (0.41) F2TMPRSS6PROCTMPRSS11DHPN
SCHEMBL7364257 0.87 F2 (0.41) F2TMPRSS6PROCTMPRSS11DHPN
SCHEMBL7356268 0.85 HPN (0.59) F2PROCHPNHGFACST14
SCHEMBL8781243 0.81 F2 (0.40) F2TMPRSS6PROCHPNHGFAC
SCHEMBL7357020 0.71 F2 (0.53) F2TMPRSS6HPNHGFACST14
SCHEMBL8727239 0.71 F2 (0.46) F2TMPRSS6PROC

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-0796271-B1 DIPEPTIDE P-AMIDINOBENZYLAMIDES WITH N-TERMINAL SULFONYL OR AMINOSULFONYL RADICALS BASF AG (DE) 2000-02-02 EP disclosed
EP-0796271-A1 NEW DIPEPTIDE P-AMIDINOBENZYLAMIDES WITH N-TERMINAL SULFONYL OR AMINOSULFONYL RADICALS BASF AKTIENGESELLSCHAFT (DE) 1997-09-24 EP disclosed
WO-1996017860-A1 NEW DIPEPTIDE P-AMIDINOBENZYLAMIDES WITH N-TERMINAL SULFONYL OR AMINOSULFONYL RADICALS BASF AKTIENGESELLSCHAFT (DE) 1996-06-13 WO disclosed