SCHEMBL9012365

SCHEMBL9012365

CC(CCc1ccccc1)C(=O)/N=C(/N)N1CCC(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NS(C)(=O)=O)CC1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F2 P00734 9/20 0.48
TMPRSS11D O60235 6/20 0.44
F10 P00742 3/20 0.43
CMA1 P23946 1/20 0.42
ACE P12821 1/20 0.41
PLG P00747 2/20 0.41
XIAP P98170 2/20 0.41
PRSS1 P07477 3/20 0.40
PRSS2 P07478 2/20 0.40
PRSS3 P35030 2/20 0.40

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
SCHEMBL9012373 1.00 F2 (0.48) F2TMPRSS11DF10CMA1ACE
SCHEMBL9012229 0.96 F2 (0.46) F2TMPRSS11DF10CMA1PLG
SCHEMBL9012217 0.96 F2 (0.46) F2TMPRSS11DF10CMA1PLG
SCHEMBL9012275 0.94 F2 (0.50) F2TMPRSS11DF10CMA1ACE
SCHEMBL9012285 0.94 F2 (0.50) F2TMPRSS11DF10CMA1ACE
SCHEMBL9012099 0.93 F2 (0.46) F2TMPRSS11DF10CMA1ACE
SCHEMBL9012096 0.93 F2 (0.46) F2TMPRSS11DF10CMA1ACE
SCHEMBL9012376 0.92 F2 (0.46) F2TMPRSS11DF10CMA1ACE
SCHEMBL9012361 0.92 F2 (0.46) F2TMPRSS11DF10CMA1ACE
SCHEMBL9012134 0.92 F2 (0.51) F2TMPRSS11DF10CMA1PLG

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