SCHEMBL9011989

SCHEMBL9011989

CC(C)OC(=O)OCCCC(=O)N=CC1CC(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NS(C)(=O)=O)CCN1N

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F2 P00734 7/20 0.39
ACE P12821 2/20 0.36
ACE2 Q9BYF1 2/20 0.36
PRSS1 P07477 4/20 0.36
CMA1 P23946 1/20 0.35
XIAP P98170 4/20 0.35
PRSS2 P07478 3/20 0.34
PRSS3 P35030 3/20 0.34
TMPRSS11D O60235 3/20 0.34
F10 P00742 1/20 0.34
PLG P00747 1/20 0.34
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL9011972 1.00 F2 (0.39) F2ACEACE2PRSS1CMA1
SCHEMBL9012287 0.86 F2 (0.39) F2PRSS1CMA1XIAPPRSS2
SCHEMBL9012276 0.86 F2 (0.39) F2PRSS1CMA1XIAPPRSS2
SCHEMBL9011985 0.85 F2 (0.43) F2ACEACE2PRSS1CMA1
SCHEMBL9012394 0.85 F2 (0.39) F2PRSS1CMA1XIAPPRSS2
SCHEMBL9012387 0.85 F2 (0.39) F2PRSS1CMA1XIAPPRSS2
SCHEMBL9012283 0.83 F2 (0.48) F2PRSS1CMA1XIAPPRSS2
SCHEMBL9012270 0.83 F2 (0.48) F2PRSS1CMA1XIAPPRSS2
SCHEMBL9012093 0.83 F2 (0.38) F2PRSS1CMA1XIAPPRSS2
SCHEMBL9012086 0.83 F2 (0.38) F2PRSS1CMA1XIAPPRSS2

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