SCHEMBL7102558

SCHEMBL7102558

CCS(=O)(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCCc1cccc(C(=N)N)c1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TMPRSS11D O60235 12/20 0.52
ST14 Q9Y5Y6 5/20 0.51
HPN P05981 1/20 0.51
F10 P00742 9/20 0.51
PLG P00747 7/20 0.51
F2 P00734 6/20 0.51
PLAU P00749 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
SCHEMBL7102494 0.92 TMPRSS11D (0.58) TMPRSS11DF10PLGF2
SCHEMBL7105052 0.92 TMPRSS11D (0.58) TMPRSS11DST14F10PLGF2
SCHEMBL7102496 0.91 TMPRSS11D (0.44) TMPRSS11DST14F10PLGF2
SCHEMBL7102505 0.91 TMPRSS11D (0.44) TMPRSS11DST14F10PLGF2
SCHEMBL7106028 0.85 TMPRSS11D (0.68) TMPRSS11DF10PLGF2
SCHEMBL7154243 0.85 TMPRSS11D (0.50) TMPRSS11DF10PLGF2
SCHEMBL7102569 0.85 FKBP1A (0.46) TMPRSS11DF10F2
Hydrochloric Acid SCHEMBL7140902 0.85 TMPRSS11D (0.67) TMPRSS11DF10PLGF2
SCHEMBL7104147 0.84 TMPRSS11D (0.48) TMPRSS11DF10PLGF2
SCHEMBL7104150 0.84 TMPRSS11D (0.48) TMPRSS11DF10PLGF2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0672658-B1 Antithrombotic agents ASTRAZENECA AB (SE) 2003-09-17 EP claimed