SCHEMBL9012229

SCHEMBL9012229

CC(CCCc1ccccc1)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 9)

geneUniProtsupporting neighboursconfidence
F2 P00734 9/20 0.46
TMPRSS11D O60235 7/20 0.43
PRSS1 P07477 3/20 0.42
F10 P00742 4/20 0.42
CMA1 P23946 1/20 0.41
PLG P00747 2/20 0.40
XIAP P98170 2/20 0.40
PRSS2 P07478 2/20 0.40
PRSS3 P35030 2/20 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
SCHEMBL9012217 1.00 F2 (0.46) F2TMPRSS11DPRSS1F10CMA1
SCHEMBL9012373 0.96 F2 (0.48) F2TMPRSS11DPRSS1F10CMA1
SCHEMBL9012365 0.96 F2 (0.48) F2TMPRSS11DPRSS1F10CMA1
SCHEMBL9012099 0.94 F2 (0.46) F2TMPRSS11DPRSS1F10CMA1
SCHEMBL9012096 0.94 F2 (0.46) F2TMPRSS11DPRSS1F10CMA1
SCHEMBL9012361 0.94 F2 (0.46) F2TMPRSS11DPRSS1F10CMA1
SCHEMBL9012376 0.94 F2 (0.46) F2TMPRSS11DPRSS1F10CMA1
SCHEMBL9012455 0.93 F2 (0.45) F2TMPRSS11DPRSS1F10CMA1
SCHEMBL9012448 0.93 F2 (0.45) F2TMPRSS11DPRSS1F10CMA1
SCHEMBL9012275 0.93 F2 (0.50) F2TMPRSS11DPRSS1F10CMA1

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