SCHEMBL7360255

SCHEMBL7360255

N=C(N)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)C(F)(F)F)cc1

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F2 P00734 11/20 0.63
TMPRSS11D O60235 12/20 0.62
F10 P00742 3/20 0.60
PLG P00747 3/20 0.60
TMPRSS6 Q8IU80 2/20 0.51

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
SCHEMBL7353953 0.90 TMPRSS11D (0.65) F2TMPRSS11DF10PLG
SCHEMBL7106028 0.89 TMPRSS11D (0.68) F2TMPRSS11DF10PLG
Hydrochloric Acid SCHEMBL7140902 0.88 TMPRSS11D (0.67) F2TMPRSS11DF10PLG
SCHEMBL7365085 0.85 TMPRSS11D (0.64) F2TMPRSS11DF10PLG
SCHEMBL7107381 0.84 F2 (0.66) F2TMPRSS11DF10PLG
SCHEMBL8770719 0.84 TMPRSS11D (0.62) F2TMPRSS11DF10PLG
Hydrochloric Acid SCHEMBL9228058 0.83 F2 (0.65) F2TMPRSS11DF10PLG
SCHEMBL23752316 0.83 F2 (0.74) F2TMPRSS11DF10PLG
SCHEMBL15077024 0.83 F2 (0.74) F2TMPRSS11DF10PLG
SCHEMBL7148728 0.83 F2 (0.74) F2TMPRSS11DF10PLG

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