SCHEMBL7102587

SCHEMBL7102587

CCS(=O)(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCc1cccc(/C(N)=N\O)c1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TMPRSS11D O60235 12/20 0.50
F2 P00734 8/20 0.48
F10 P00742 5/20 0.48
PLG P00747 3/20 0.48
PRSS1 P07477 1/20 0.45
PRSS2 P07478 1/20 0.45
PRSS3 P35030 1/20 0.45

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
SCHEMBL7102595 1.00 TMPRSS11D (0.50) TMPRSS11DF2F10PLGPRSS1
SCHEMBL7102496 0.92 TMPRSS11D (0.44) TMPRSS11DF2F10PLGPRSS1
SCHEMBL7102505 0.92 TMPRSS11D (0.44) TMPRSS11DF2F10PLGPRSS1
SCHEMBL7102489 0.92 TMPRSS11D (0.56) TMPRSS11DF2F10PLG
SCHEMBL7102493 0.92 TMPRSS11D (0.56) TMPRSS11DF2F10PLG
SCHEMBL7105052 0.91 TMPRSS11D (0.58) TMPRSS11DF2F10PLG
SCHEMBL7104150 0.86 TMPRSS11D (0.48) TMPRSS11DF2F10PLG
SCHEMBL7104147 0.86 TMPRSS11D (0.48) TMPRSS11DF2F10PLG
SCHEMBL7105058 0.85 TMPRSS11D (0.48) TMPRSS11DF2F10PLGPRSS1
SCHEMBL7106028 0.84 TMPRSS11D (0.68) 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 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