SCHEMBL9012472

SCHEMBL9012472

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

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F2 P00734 9/20 0.46
TMPRSS11D O60235 9/20 0.43
CMA1 P23946 1/20 0.40
F10 P00742 3/20 0.40
PLG P00747 3/20 0.40
XIAP P98170 2/20 0.40
PRSS1 P07477 4/20 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
SCHEMBL9012476 1.00 F2 (0.46) F2TMPRSS11DCMA1F10PLG
SCHEMBL9012484 0.94 F2 (0.48) F2TMPRSS11DCMA1F10PLG
SCHEMBL9012478 0.94 F2 (0.48) F2TMPRSS11DCMA1F10PLG
SCHEMBL9011985 0.90 F2 (0.43) F2TMPRSS11DCMA1F10PLG
SCHEMBL9011999 0.90 F2 (0.44) F2TMPRSS11DCMA1F10PLG
SCHEMBL9011996 0.90 F2 (0.44) F2TMPRSS11DCMA1F10PLG
SCHEMBL9013421 0.90 F2 (0.44) F2TMPRSS11DCMA1F10PLG
SCHEMBL9011991 0.90 F2 (0.48) F2TMPRSS11DCMA1F10PLG
SCHEMBL9012004 0.90 F2 (0.48) F2TMPRSS11DCMA1F10PLG
SCHEMBL9012355 0.89 F2 (0.51) F2TMPRSS11DCMA1F10PLG

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