SCHEMBL9012353

SCHEMBL9012353

CC(=O)OCc1ccccc1C(=O)N=NCN1CCC(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NS(C)(=O)=O)CC1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F2 P00734 5/20 0.42
CMA1 P23946 2/20 0.36
TAAR1 Q96RJ0 2/20 0.36
ACE P12821 1/20 0.36
TACR1 P25103 5/20 0.36
PRSS1 P07477 3/20 0.35
PRSS2 P07478 3/20 0.35
PRSS3 P35030 3/20 0.35
TMPRSS11D O60235 1/20 0.35

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
SCHEMBL9011950 0.88 F2 (0.45) F2CMA1ACEPRSS1PRSS2
SCHEMBL9012345 0.88 F2 (0.44) F2CMA1PRSS1PRSS2PRSS3
SCHEMBL9012329 0.85 F2 (0.43) F2CMA1ACEPRSS1PRSS2
SCHEMBL9012429 0.85 F2 (0.43) F2CMA1ACEPRSS1PRSS2
SCHEMBL9012333 0.85 F2 (0.41) F2CMA1ACETACR1PRSS1
SCHEMBL9012328 0.85 F2 (0.41) F2CMA1ACETACR1PRSS1
SCHEMBL9012012 0.84 F2 (0.42) F2CMA1ACEPRSS1PRSS2
SCHEMBL9012408 0.84 F2 (0.42) F2CMA1ACEPRSS1PRSS2
SCHEMBL9012156 0.82 F2 (0.42) F2CMA1ACEPRSS1PRSS2
SCHEMBL9012284 0.81 F2 (0.42) F2CMA1PRSS1PRSS2PRSS3

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