SCHEMBL9012127

SCHEMBL9012127

CCCCC(CCC(=O)N=NCN1CCC(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NS(C)(=O)=O)CC1)OC(C)=O

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F2 P00734 9/20 0.40
ACE P12821 6/20 0.37
ACE2 Q9BYF1 5/20 0.37
PRCP P42785 1/20 0.36
PRSS1 P07477 5/20 0.36
CMA1 P23946 1/20 0.35
PRSS2 P07478 3/20 0.34
PRSS3 P35030 3/20 0.34
TACR1 P25103 1/20 0.34
FKBP1A P62942 1/20 0.34

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
SCHEMBL9012118 0.88 F2 (0.42) F2ACEACE2PRCPPRSS1
SCHEMBL9012429 0.87 F2 (0.43) F2ACEACE2PRSS1CMA1
SCHEMBL9011950 0.86 F2 (0.45) F2ACEACE2PRSS1CMA1
SCHEMBL9012156 0.85 F2 (0.42) F2ACEPRSS1CMA1PRSS2
SCHEMBL9012012 0.82 F2 (0.42) F2ACEPRSS1CMA1PRSS2
SCHEMBL9012329 0.82 F2 (0.43) F2ACEACE2PRSS1CMA1
SCHEMBL9012284 0.82 F2 (0.42) F2PRSS1CMA1PRSS2PRSS3
SCHEMBL9012021 0.81 F2 (0.42) F2ACEACE2PRSS1PRSS2
SCHEMBL9012408 0.80 F2 (0.42) F2ACEACE2PRSS1CMA1
SCHEMBL9012353 0.80 F2 (0.42) F2ACEPRSS1CMA1PRSS2

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