SCHEMBL7102482

SCHEMBL7102482

CCS(=O)(=O)N[C@H](Cc1ccccc1)C(=O)N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)NCc1ccc(C(=N)N)cc1

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F2 P00734 11/20 0.63
TMPRSS11D O60235 11/20 0.51
F10 P00742 2/20 0.49
PLG P00747 2/20 0.49

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
SCHEMBL7102480 1.00 F2 (0.63) F2TMPRSS11DF10PLG
Hydrochloric Acid SCHEMBL7154381 0.88 F2 (0.50) F2TMPRSS11DF10PLG
Hydrochloric Acid SCHEMBL7154388 0.88 F2 (0.50) F2TMPRSS11DF10PLG
SCHEMBL7106031 0.87 F2 (0.48) F2TMPRSS11DF10PLG
SCHEMBL8695096 0.87 F2 (0.48) F2TMPRSS11DF10PLG
SCHEMBL7108692 0.86 F2 (0.63) F2F10
SCHEMBL7108693 0.86 F2 (0.63) F2F10
SCHEMBL7106028 0.85 TMPRSS11D (0.68) F2TMPRSS11DF10PLG
Hydrochloric Acid SCHEMBL7140902 0.84 TMPRSS11D (0.67) F2TMPRSS11DF10PLG
SCHEMBL7365085 0.78 TMPRSS11D (0.64) 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 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