SCHEMBL9068490

SCHEMBL9068490

COc1ccc(C(=O)SCC(C)C(=O)N2CCC[C@H]2C(=O)O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE P12821 7/20 0.50
REN P00797 3/20 0.50
NPSR1 Q6W5P4 1/20 0.50
KDM4E B2RXH2 1/20 0.50
F2 P00734 1/20 0.50
LMNA P02545 1/20 0.50
LTA4H P09960 1/20 0.50
MAPT P10636 1/20 0.50
PEPD P12955 1/20 0.50
ALOX15 P16050 1/20 0.50
PTGS1 P23219 1/20 0.50
HTR2A P28223 1/20 0.50
PTGS2 P35354 1/20 0.50
HRH1 P35367 1/20 0.50
THPO P40225 1/20 0.50
PMP22 Q01453 1/20 0.50
HSD17B10 Q99714 1/20 0.50
ACE2 Q9BYF1 1/20 0.50
KMT2A Q03164 1/20 0.49
ALDH1A1 P00352 1/20 0.49

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
SCHEMBL9068494 1.00 ACE (0.50) ACERENNPSR1KDM4EF2
SCHEMBL9068492 1.00 ACE (0.50) ACERENNPSR1KDM4EF2
SCHEMBL7378528 0.88 ACE (0.62) ACERENKDM4EF2LMNA
SCHEMBL10954711 0.88 ACE (0.62) ACERENKDM4EF2LMNA
SCHEMBL10508293 0.88 ACE (0.62) ACERENKDM4EF2LMNA
SCHEMBL5567090 0.85 ACE (0.50) ACERENKDM4EF2LMNA
SCHEMBL11497741 0.84 ACE (0.61) ACEACE2KMT2A
SCHEMBL11286625 0.84 ACE (0.58) ACEACE2KMT2A
SCHEMBL24378504 0.82 SLC6A1 (0.52) ACERENNPSR1KDM4EF2
SCHEMBL5566810 0.81 ACE (0.44) ACERENKDM4EF2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5304570-A Ibopamine or salt and enzyme inhibitor (S,S),-N-(3-(4-methoxybenzoylthio)-2-methyl-propionyl)-proline) ZAMBON GROUP S.P.A. (IT) 1994-04-19 US claimed
EP-0351017-B1 Pharmaceutical composition useful for the treatment of cardiovascular diseases ZAMBON SPA (IT) 1994-01-19 EP claimed
EP-0351017-A2 Pharmaceutical composition useful for the treatment of cardiovascular diseases ZAMBON GROUP S.p.A. (IT) 1990-01-17 EP claimed
JP-2096564-A None JP disclosed
US-5571834-A HYPOTENSIVE AGENTS ZAMBON GROUP S.P.A. (IT) 1996-11-05 US disclosed
US-5304570-A Ibopamine or salt and enzyme inhibitor (S,S),-N-(3-(4-methoxybenzoylthio)-2-methyl-propionyl)-proline) ZAMBON GROUP S.P.A. (IT) 1994-04-19 US disclosed
EP-0351017-B1 Pharmaceutical composition useful for the treatment of cardiovascular diseases ZAMBON SPA (IT) 1994-01-19 EP disclosed
JP-H0296564-A DRUG COMPOSITION AND (SS)-N-(3-(4-METHOXYBENZOYLTHIO)-2-METHYL-PROPYL)-PROLINE SIMES SPA 1990-04-09 JP disclosed
EP-0351017-A2 Pharmaceutical composition useful for the treatment of cardiovascular diseases ZAMBON GROUP S.p.A. (IT) 1990-01-17 EP disclosed
JP-H00296564-A 0001-01-01 JP disclosed