SCHEMBL9011950

SCHEMBL9011950

CC(=O)OCC(=O)N=NCN1CCC(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NS(C)(=O)=O)CC1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F2 P00734 7/20 0.45
CMA1 P23946 1/20 0.39
PRSS1 P07477 4/20 0.38
PRSS2 P07478 3/20 0.38
PRSS3 P35030 3/20 0.38
ACE P12821 4/20 0.37
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
GAA P10253 1/20 0.36
XIAP P98170 2/20 0.36
ACE2 Q9BYF1 3/20 0.36
TMPRSS11D O60235 2/20 0.36

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
SCHEMBL9012429 0.92 F2 (0.43) F2CMA1PRSS1PRSS2PRSS3
SCHEMBL9012329 0.92 F2 (0.43) F2CMA1PRSS1PRSS2PRSS3
SCHEMBL9012012 0.91 F2 (0.42) F2CMA1PRSS1PRSS2PRSS3
SCHEMBL9012156 0.88 F2 (0.42) F2CMA1PRSS1PRSS2PRSS3
SCHEMBL9012353 0.88 F2 (0.42) F2CMA1PRSS1PRSS2PRSS3
SCHEMBL9012408 0.88 F2 (0.42) F2CMA1PRSS1PRSS2PRSS3
SCHEMBL9011948 0.86 F2 (0.48) F2CMA1PRSS1PRSS2PRSS3
SCHEMBL9012127 0.86 F2 (0.40) F2CMA1PRSS1PRSS2PRSS3
SCHEMBL9012021 0.85 F2 (0.42) F2PRSS1PRSS2PRSS3ACE
SCHEMBL9012284 0.85 F2 (0.42) F2CMA1PRSS1PRSS2PRSS3

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