SCHEMBL9012147

SCHEMBL9012147

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

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F2 P00734 9/20 0.44
PRSS1 P07477 4/20 0.42
TMPRSS11D O60235 6/20 0.40
F10 P00742 3/20 0.40
PLG P00747 3/20 0.40
CMA1 P23946 4/20 0.39
ACE P12821 1/20 0.39
XIAP P98170 2/20 0.39
CTRC Q99895 1/20 0.38
PRSS2 P07478 3/20 0.38
PRSS3 P35030 3/20 0.38

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
SCHEMBL9012282 0.94 F2 (0.43) F2PRSS1TMPRSS11DF10PLG
SCHEMBL9012125 0.88 F2 (0.48) F2PRSS1TMPRSS11DCMA1ACE
SCHEMBL9012606 0.88 F2 (0.48) F2PRSS1TMPRSS11DCMA1ACE
SCHEMBL9012006 0.88 F2 (0.44) F2PRSS1TMPRSS11DF10PLG
SCHEMBL9012414 0.88 F2 (0.45) F2PRSS1TMPRSS11DF10PLG
SCHEMBL9011991 0.88 F2 (0.48) F2PRSS1TMPRSS11DF10PLG
SCHEMBL9012484 0.88 F2 (0.48) F2PRSS1TMPRSS11DF10PLG
SCHEMBL9012478 0.88 F2 (0.48) F2PRSS1TMPRSS11DF10PLG
SCHEMBL9011948 0.88 F2 (0.48) F2PRSS1TMPRSS11DF10PLG
SCHEMBL9012004 0.88 F2 (0.48) 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