SCHEMBL7053068

SCHEMBL7053068

Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)C(=O)N([N+]=O)c2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F2 P00734 7/20 0.43
NTMT1 Q9BV86 2/20 0.42
ACE P12821 5/20 0.39
PRSS1 P07477 3/20 0.39
PRSS2 P07478 3/20 0.39
PRSS3 P35030 3/20 0.39
ACE2 Q9BYF1 1/20 0.39
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
FAP Q12884 1/20 0.36

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
SCHEMBL5597236 0.90 DPP4 (0.40) F2ACEPRSS1PRSS2PRSS3
SCHEMBL3239444 0.88 F2 (0.46) F2NTMT1ACEPRSS1PRSS2
SCHEMBL29427848 0.77 PDF (0.46) F2NTMT1PRSS1PRSS2PRSS3
SCHEMBL263537 0.77 PDF (0.46) F2NTMT1PRSS1PRSS2PRSS3
Acetic Acid SCHEMBL16234756 0.77 PDF (0.44) F2NTMT1ACEPRSS1PRSS2
SCHEMBL2226082 0.77 DPP4 (0.46) F2PRSS1PRSS2PRSS3
SCHEMBL7106909 0.76 F2 (0.38) F2ACEPRSS1PRSS2PRSS3
SCHEMBL29582281 0.75 F2 (0.56) F2NTMT1ACEACE2
SCHEMBL12955380 0.75 DPP4 (0.42) F2PRSS1PRSS2PRSS3LMNA
SCHEMBL9603823 0.74 DPP4 (0.44) F2PRSS1PRSS2PRSS3

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1307432-A1 CYCLIC OXYGUANIDINE PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2003-05-07 EP disclosed
WO-2002012207-A1 CYCLIC OXYGUANIDINE PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2002-02-14 WO disclosed
EP-1070049-A1 BENZAMIDE AND SULFONAMIDE SUBSTITUTED AMINOGUANIDINES AND ALKOXYGUANIDINES AS PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2001-01-24 EP disclosed
US-5968782-A NUCLEIC ACID SEQUENCE CODING POLYPEPTIDE ENZYME WITH ENTEROKINASE SENSITIVITY WHICH CAN BE USED FOR TREATING DISORDERS MEDIATED BY THROMBUS CLOT FORMATION BRIGHAM AND WOMENS'S HOSPITAL, INC. (US) 1999-10-19 US disclosed
WO-1999051571-A1 BENZAMIDE AND SULFONAMIDE SUBSTITUTED AMINOGUANIDINES AND ALKOXYGUANIDINES AS PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1999-10-14 WO disclosed