SCHEMBL9012227

SCHEMBL9012227

COC(=O)C(C)(C)CC(=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 12)

geneUniProtsupporting neighboursconfidence
F2 P00734 8/20 0.46
PRSS1 P07477 5/20 0.42
TMPRSS11D O60235 8/20 0.41
PRSS2 P07478 3/20 0.41
PRSS3 P35030 3/20 0.41
CMA1 P23946 2/20 0.40
F10 P00742 1/20 0.40
PLG P00747 1/20 0.40
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
SCHEMBL9012237 1.00 F2 (0.46) F2PRSS1TMPRSS11DPRSS2PRSS3
SCHEMBL9012130 0.89 F2 (0.49) F2PRSS1TMPRSS11DPRSS2PRSS3
SCHEMBL9012136 0.89 F2 (0.49) F2PRSS1TMPRSS11DPRSS2PRSS3
SCHEMBL9012355 0.89 F2 (0.51) F2PRSS1TMPRSS11DPRSS2PRSS3
SCHEMBL9012346 0.89 F2 (0.51) F2PRSS1TMPRSS11DPRSS2PRSS3
SCHEMBL9012359 0.89 F2 (0.46) F2PRSS1TMPRSS11DPRSS2PRSS3
SCHEMBL9012367 0.89 F2 (0.46) F2PRSS1TMPRSS11DPRSS2PRSS3
SCHEMBL9012006 0.89 F2 (0.44) F2PRSS1TMPRSS11DPRSS2PRSS3
SCHEMBL9012296 0.89 F2 (0.51) F2PRSS1TMPRSS11DPRSS2PRSS3
SCHEMBL9012292 0.89 F2 (0.51) F2PRSS1TMPRSS11DPRSS2PRSS3

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