SCHEMBL9011998

SCHEMBL9011998

CC(=O)/N=C(/NC(C)=O)N1CCC(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NS(C)(=O)=O)CC1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F2 P00734 8/20 0.50
CMA1 P23946 2/20 0.42
ACE P12821 1/20 0.41
PRSS1 P07477 4/20 0.41
PRSS2 P07478 3/20 0.41
PRSS3 P35030 3/20 0.41
F10 P00742 3/20 0.40
TMPRSS11D O60235 3/20 0.40
GAA P10253 1/20 0.38

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
SCHEMBL9012003 1.00 F2 (0.50) F2CMA1ACEPRSS1PRSS2
SCHEMBL9012556 0.90 ACE (0.46) F2CMA1ACEPRSS1PRSS2
SCHEMBL9012560 0.90 ACE (0.46) F2CMA1ACEPRSS1PRSS2
SCHEMBL9012129 0.87 F2 (0.46) F2CMA1ACETMPRSS11D
SCHEMBL9012557 0.87 F2 (0.46) F2CMA1PRSS1PRSS2PRSS3
SCHEMBL9012113 0.87 F2 (0.46) F2CMA1ACETMPRSS11D
SCHEMBL9012549 0.87 F2 (0.46) F2CMA1PRSS1PRSS2PRSS3
SCHEMBL9012346 0.86 F2 (0.51) F2CMA1PRSS1PRSS2PRSS3
SCHEMBL9012355 0.86 F2 (0.51) F2CMA1PRSS1PRSS2PRSS3
SCHEMBL9012023 0.86 F2 (0.44) F2CMA1ACEPRSS1PRSS2

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