SCHEMBL9012226

SCHEMBL9012226

CC(C)(CCc1ccccc1)C(=O)N=C(N)N1CCC(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NS(C)(=O)=O)CC1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F2 P00734 8/20 0.47
TMPRSS11D O60235 8/20 0.42
CMA1 P23946 1/20 0.41
PRSS1 P07477 5/20 0.41
F10 P00742 2/20 0.41
PLG P00747 1/20 0.41
XIAP P98170 2/20 0.40
PRSS2 P07478 3/20 0.40
PRSS3 P35030 3/20 0.40
FKBP1A P62942 1/20 0.40

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
SCHEMBL9012219 1.00 F2 (0.47) F2TMPRSS11DCMA1PRSS1F10
SCHEMBL9011953 0.96 F2 (0.46) F2TMPRSS11DCMA1PRSS1F10
SCHEMBL9011964 0.96 F2 (0.46) F2TMPRSS11DCMA1PRSS1F10
SCHEMBL9012066 0.93 F2 (0.46) F2TMPRSS11DCMA1PRSS1F10
SCHEMBL9012071 0.93 F2 (0.46) F2TMPRSS11DCMA1PRSS1F10
SCHEMBL9012500 0.92 F2 (0.45) F2TMPRSS11DCMA1PRSS1F10
SCHEMBL9012486 0.92 F2 (0.45) F2TMPRSS11DCMA1PRSS1F10
SCHEMBL9012510 0.92 F2 (0.50) F2TMPRSS11DCMA1PRSS1F10
SCHEMBL9012506 0.92 F2 (0.50) F2TMPRSS11DCMA1PRSS1F10
SCHEMBL9012209 0.92 F2 (0.45) F2TMPRSS11DCMA1PRSS1F10

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