SCHEMBL9012367

SCHEMBL9012367

COC(=O)CC(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 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F2 P00734 7/20 0.46
CMA1 P23946 4/20 0.42
PRSS1 P07477 5/20 0.42
TMPRSS11D O60235 6/20 0.41
PRSS2 P07478 3/20 0.41
PRSS3 P35030 3/20 0.41
XIAP P98170 2/20 0.40
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 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
SCHEMBL9012359 1.00 F2 (0.46) F2CMA1PRSS1TMPRSS11DPRSS2
SCHEMBL9012506 0.91 F2 (0.50) F2CMA1PRSS1TMPRSS11DPRSS2
SCHEMBL9012510 0.91 F2 (0.50) F2CMA1PRSS1TMPRSS11DPRSS2
SCHEMBL9012219 0.90 F2 (0.47) F2CMA1PRSS1TMPRSS11DPRSS2
SCHEMBL9012226 0.90 F2 (0.47) F2CMA1PRSS1TMPRSS11DPRSS2
SCHEMBL9012066 0.89 F2 (0.46) F2CMA1PRSS1TMPRSS11DPRSS2
SCHEMBL9011964 0.89 F2 (0.46) F2CMA1PRSS1TMPRSS11DPRSS2
SCHEMBL9012071 0.89 F2 (0.46) F2CMA1PRSS1TMPRSS11DPRSS2
SCHEMBL9011953 0.89 F2 (0.46) F2CMA1PRSS1TMPRSS11DPRSS2
SCHEMBL9012237 0.89 F2 (0.46) F2CMA1PRSS1TMPRSS11DPRSS2

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