SCHEMBL9012095

SCHEMBL9012095

CC(C)COC(=O)OCCCC(=O)N=C(N)N1CCC(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NS(C)(=O)=O)CC1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F2 P00734 8/20 0.43
TMPRSS11D O60235 6/20 0.40
XIAP P98170 3/20 0.39
F10 P00742 3/20 0.39
PLG P00747 3/20 0.39
ACE P12821 2/20 0.38
ACE2 Q9BYF1 2/20 0.38
CMA1 P23946 1/20 0.38
PRSS1 P07477 3/20 0.38
PRSS2 P07478 2/20 0.37
PRSS3 P35030 2/20 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
SCHEMBL9012087 1.00 F2 (0.43) F2TMPRSS11DXIAPF10PLG
SCHEMBL9011985 0.93 F2 (0.43) F2TMPRSS11DXIAPF10PLG
SCHEMBL9012058 0.92 F2 (0.45) F2TMPRSS11DXIAPF10PLG
SCHEMBL9012061 0.92 F2 (0.45) F2TMPRSS11DXIAPF10PLG
SCHEMBL9012414 0.92 F2 (0.45) F2TMPRSS11DF10PLGACE
SCHEMBL9012271 0.90 F2 (0.44) F2TMPRSS11DF10PLGACE
SCHEMBL9012256 0.90 F2 (0.44) F2TMPRSS11DF10PLGACE
SCHEMBL9012024 0.90 F2 (0.44) F2TMPRSS11DXIAPF10PLG
SCHEMBL9012011 0.90 F2 (0.44) F2TMPRSS11DXIAPF10PLG
SCHEMBL9012290 0.89 F2 (0.42) F2TMPRSS11DXIAPF10PLG

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