SCHEMBL9012282

SCHEMBL9012282

CC(C)C(=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 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F2 P00734 8/20 0.43
PRSS1 P07477 4/20 0.41
TMPRSS11D O60235 5/20 0.41
CMA1 P23946 7/20 0.40
F10 P00742 2/20 0.39
PLG P00747 2/20 0.39
XIAP P98170 2/20 0.39
PRSS2 P07478 3/20 0.39
PRSS3 P35030 3/20 0.39

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
SCHEMBL9012147 0.94 F2 (0.44) F2PRSS1TMPRSS11DCMA1F10
SCHEMBL8820590 0.90 F2 (0.44) F2PRSS1TMPRSS11DCMA1XIAP
SCHEMBL9012058 0.89 F2 (0.45) F2PRSS1TMPRSS11DCMA1F10
SCHEMBL9012061 0.89 F2 (0.45) F2PRSS1TMPRSS11DCMA1F10
SCHEMBL9012125 0.87 F2 (0.48) F2PRSS1TMPRSS11DCMA1XIAP
SCHEMBL9012606 0.87 F2 (0.48) F2PRSS1TMPRSS11DCMA1XIAP
SCHEMBL9011991 0.87 F2 (0.48) F2PRSS1TMPRSS11DCMA1F10
SCHEMBL9012484 0.87 F2 (0.48) F2PRSS1TMPRSS11DCMA1F10
SCHEMBL9012478 0.87 F2 (0.48) F2PRSS1TMPRSS11DCMA1F10
SCHEMBL9012004 0.87 F2 (0.48) F2PRSS1TMPRSS11DCMA1F10

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