SCHEMBL7353953

SCHEMBL7353953

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

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TMPRSS11D O60235 12/20 0.65
F2 P00734 11/20 0.65
F10 P00742 3/20 0.63
PLG P00747 3/20 0.63

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
SCHEMBL7106028 0.92 TMPRSS11D (0.68) TMPRSS11DF2F10PLG
Hydrochloric Acid SCHEMBL7140902 0.91 TMPRSS11D (0.67) TMPRSS11DF2F10PLG
SCHEMBL7360255 0.90 F2 (0.63) TMPRSS11DF2F10PLG
SCHEMBL7365085 0.88 TMPRSS11D (0.64) TMPRSS11DF2F10PLG
SCHEMBL7107381 0.87 F2 (0.66) TMPRSS11DF2F10PLG
SCHEMBL8770719 0.87 TMPRSS11D (0.62) TMPRSS11DF2F10PLG
Hydrochloric Acid SCHEMBL9228058 0.86 F2 (0.65) TMPRSS11DF2F10PLG
SCHEMBL23752316 0.86 F2 (0.74) TMPRSS11DF2F10PLG
SCHEMBL7148728 0.86 F2 (0.74) TMPRSS11DF2F10PLG
SCHEMBL15077024 0.86 F2 (0.74) TMPRSS11DF2F10PLG

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