SCHEMBL9012233

SCHEMBL9012233

CS(=O)(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCC1CCN(/C(=N\C(=O)CCCOC(=O)CC2CCCCC2)NC(=O)CCCOC(=O)CC2CCCCC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F2 P00734 6/20 0.40
ACE P12821 5/20 0.36
ACE2 Q9BYF1 5/20 0.36
CMA1 P23946 2/20 0.36
PRSS1 P07477 3/20 0.35
PRCP P42785 1/20 0.34
TMPRSS11D O60235 3/20 0.34
KMT2A Q03164 1/20 0.34
F10 P00742 1/20 0.34
PLG P00747 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
PRSS2 P07478 2/20 0.34
PRSS3 P35030 2/20 0.34
REN P00797 1/20 0.34
YAP1 P46937 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
SCHEMBL9012250 1.00 F2 (0.40) F2ACEACE2CMA1PRSS1
SCHEMBL9012610 0.92 ACE (0.42) F2ACEACE2CMA1PRSS1
SCHEMBL9012616 0.92 ACE (0.42) F2ACEACE2CMA1PRSS1
SCHEMBL9012303 0.92 ACE (0.42) F2ACEACE2CMA1PRSS1
SCHEMBL9012317 0.92 ACE (0.42) F2ACEACE2CMA1PRSS1
SCHEMBL9012247 0.91 F2 (0.43) F2ACEACE2CMA1PRSS1
SCHEMBL9012053 0.91 F2 (0.41) F2ACEACE2CMA1PRSS1
SCHEMBL9012265 0.91 F2 (0.43) F2ACEACE2CMA1PRSS1
SCHEMBL9012046 0.91 F2 (0.41) F2ACEACE2CMA1PRSS1
SCHEMBL9012352 0.91 F2 (0.41) F2ACEACE2CMA1PRSS1

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