SCHEMBL6170248

SCHEMBL6170248

O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)C(CS)Cc1cc2c(cc1Cl)OCO2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 2/20 0.62
ACE P12821 2/20 0.59

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
SCHEMBL8861653 0.87 ECE1 (0.64) ECE1ACE
SCHEMBL11438476 0.83 ECE1 (0.83) ECE1ACE
SCHEMBL7366298 0.81 ITGB2 (0.50) ECE1ACE
SCHEMBL6169075 0.81 ECE1 (0.77) ECE1ACE
SCHEMBL6169693 0.81 ECE1 (0.77) ECE1ACE
SCHEMBL6169688 0.81 ECE1 (0.77) ECE1ACE
SCHEMBL6169067 0.81 ECE1 (0.77) ECE1ACE
SCHEMBL7321943 0.81 ECE1 (0.70) ECE1ACE
SCHEMBL6170852 0.78 ECE1 (0.73) ECE1ACE
SCHEMBL6171226 0.78 ECE1 (0.73) ECE1ACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0888341-B1 NOVEL SULPHUR DERIVATIVES COMPRISING AN AMIDE BOND, METHOD FOR PREPARING SAME, USE THEREOF AS DRUGS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING SUCH DERIVATIVES AVENTIS PHARMA SA (FR) 2005-11-30 EP disclosed
US-6136842-A INHIBITION OF ENDOTHELIN-CONVERTING ENZYME HOECHST MARION ROUSSEL (FR) 2000-10-24 US disclosed
EP-0888341-A1 NOVEL SULPHUR DERIVATIVES COMPRISING AN AMIDE BOND, METHOD FOR PREPARING SAME, USE THEREOF AS DRUGS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING SUCH DERIVATIVES HOECHST MARION ROUSSEL (FR) 1999-01-07 EP disclosed
WO-1997032874-A1 NOVEL SULPHUR DERIVATIVES COMPRISING AN AMIDE BOND, METHOD FOR PREPARING SAME, USE THEREOF AS DRUGS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING SUCH DERIVATIVES HOECHST MARION ROUSSEL (FR) 1997-09-12 WO disclosed