SCHEMBL9011999

SCHEMBL9011999

CS(=O)(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCC1CCN(C(N)=NC(=O)CCC(=O)OCC2CCCCC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F2 P00734 9/20 0.44
TMPRSS11D O60235 11/20 0.40
F10 P00742 3/20 0.40
PLG P00747 3/20 0.40
PRSS1 P07477 4/20 0.38
PRSS2 P07478 3/20 0.38
PRSS3 P35030 3/20 0.38
CMA1 P23946 2/20 0.38
XIAP P98170 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
SCHEMBL9011996 1.00 F2 (0.44) F2TMPRSS11DF10PLGPRSS1
SCHEMBL9013421 1.00 F2 (0.44) F2TMPRSS11DF10PLGPRSS1
SCHEMBL9012478 0.92 F2 (0.48) F2TMPRSS11DF10PLGPRSS1
SCHEMBL9012484 0.92 F2 (0.48) F2TMPRSS11DF10PLGPRSS1
SCHEMBL9012476 0.90 F2 (0.46) F2TMPRSS11DF10PLGPRSS1
SCHEMBL9012472 0.90 F2 (0.46) F2TMPRSS11DF10PLGPRSS1
SCHEMBL9012112 0.90 F2 (0.43) F2TMPRSS11DF10PLGPRSS1
SCHEMBL9012122 0.90 F2 (0.43) F2TMPRSS11DF10PLGPRSS1
SCHEMBL9012265 0.89 F2 (0.43) F2TMPRSS11DF10PLGPRSS1
SCHEMBL9012247 0.89 F2 (0.43) F2TMPRSS11DF10PLGPRSS1

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