SCHEMBL9012209

SCHEMBL9012209

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

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F2 P00734 8/20 0.45
PRSS1 P07477 4/20 0.41
TMPRSS11D O60235 7/20 0.40
ACE P12821 3/20 0.40
ACE2 Q9BYF1 3/20 0.40
CMA1 P23946 1/20 0.40
F10 P00742 1/20 0.39
PLG P00747 1/20 0.39
XIAP P98170 2/20 0.39
PRSS2 P07478 2/20 0.39
PRSS3 P35030 2/20 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
SCHEMBL9012216 1.00 F2 (0.45) F2PRSS1TMPRSS11DACEACE2
SCHEMBL9012486 0.99 F2 (0.45) F2PRSS1TMPRSS11DACEACE2
SCHEMBL9012500 0.99 F2 (0.45) F2PRSS1TMPRSS11DACEACE2
SCHEMBL9012071 0.97 F2 (0.46) F2PRSS1TMPRSS11DACEACE2
SCHEMBL9012066 0.97 F2 (0.46) F2PRSS1TMPRSS11DACEACE2
SCHEMBL9011953 0.93 F2 (0.46) F2PRSS1TMPRSS11DCMA1F10
SCHEMBL9011964 0.93 F2 (0.46) F2PRSS1TMPRSS11DCMA1F10
SCHEMBL9012226 0.92 F2 (0.47) F2PRSS1TMPRSS11DCMA1F10
SCHEMBL9012219 0.92 F2 (0.47) F2PRSS1TMPRSS11DCMA1F10
SCHEMBL9012510 0.90 F2 (0.50) 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