SCHEMBL9012118

SCHEMBL9012118

CCCCC(CCC(=O)/N=C(\N)N1CCC(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NS(C)(=O)=O)CC1)OC(C)=O

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F2 P00734 10/20 0.42
PRSS1 P07477 4/20 0.39
TMPRSS11D O60235 7/20 0.39
F10 P00742 3/20 0.39
PLG P00747 3/20 0.39
ACE P12821 4/20 0.37
ACE2 Q9BYF1 4/20 0.37
PRSS2 P07478 3/20 0.37
PRSS3 P35030 3/20 0.37
PRCP P42785 1/20 0.37

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
SCHEMBL9012454 0.90 F2 (0.48) F2PRSS1TMPRSS11DF10PLG
SCHEMBL9012445 0.90 F2 (0.48) F2PRSS1TMPRSS11DF10PLG
SCHEMBL9012260 0.89 F2 (0.47) F2PRSS1TMPRSS11DF10PLG
SCHEMBL9012194 0.89 F2 (0.47) F2PRSS1TMPRSS11DF10PLG
SCHEMBL9012244 0.89 F2 (0.47) F2PRSS1TMPRSS11DF10PLG
SCHEMBL9012191 0.89 F2 (0.47) F2PRSS1TMPRSS11DF10PLG
SCHEMBL9012127 0.88 F2 (0.40) F2PRSS1ACEACE2PRSS2
SCHEMBL9012414 0.87 F2 (0.45) F2PRSS1TMPRSS11DF10PLG
SCHEMBL9012355 0.87 F2 (0.51) F2PRSS1TMPRSS11DF10PLG
SCHEMBL9012346 0.87 F2 (0.51) F2PRSS1TMPRSS11DF10PLG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0743320-A2 Acyl guanidine and amidine prodrugs BRISTOL-MYERS SQUIBB COMPANY (US) 1996-11-20 EP claimed
EP-0743320-A2 Acyl guanidine and amidine prodrugs BRISTOL-MYERS SQUIBB COMPANY (US) 1996-11-20 EP disclosed