SCHEMBL7105052

SCHEMBL7105052

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

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS11D O60235 12/20 0.58
▸ F10 P00742 9/20 0.56
▸ F2 P00734 6/20 0.56
▸ PLG P00747 5/20 0.56
▸ ST14 Q9Y5Y6 2/20 0.52
▸ PLAU P00749 1/20 0.52

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
SCHEMBL7102558 0.92 TMPRSS11D (0.52) TMPRSS11DF10F2PLGST14
SCHEMBL7106028 0.92 TMPRSS11D (0.68) TMPRSS11DF10F2PLG
Hydrochloric Acid SCHEMBL7140902 0.91 TMPRSS11D (0.67) TMPRSS11DF10F2PLG
SCHEMBL7102595 0.91 TMPRSS11D (0.50) TMPRSS11DF10F2PLG
SCHEMBL7102587 0.91 TMPRSS11D (0.50) TMPRSS11DF10F2PLG
SCHEMBL7463636 0.89 TMPRSS11D (0.55) TMPRSS11DF10F2PLG
Hydrochloric Acid SCHEMBL7156972 0.88 TMPRSS11D (0.55) TMPRSS11DF10F2PLG
SCHEMBL7102494 0.85 TMPRSS11D (0.58) TMPRSS11DF10F2PLG
SCHEMBL7365085 0.85 TMPRSS11D (0.64) TMPRSS11DF10F2PLG
SCHEMBL7463433 0.85 TMPRSS11D (0.51) TMPRSS11DF10F2PLG

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
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