SCHEMBL6169258

SCHEMBL6169258

O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)[C@H](CS)Cc1ccc(Br)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MME P08473 3/20 0.77
ECE1 P42892 1/20 0.70
LTA4H P09960 1/20 0.69
ACE P12821 1/20 0.66
FPR2 P25090 1/20 0.64

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
SCHEMBL6169917 1.00 MME (0.77) MMEECE1LTA4HACEFPR2
SCHEMBL4193332 1.00 MME (0.77) MMEECE1LTA4HACEFPR2
SCHEMBL6169688 0.93 ECE1 (0.77) MMEECE1LTA4HACE
SCHEMBL6169693 0.93 ECE1 (0.77) MMEECE1LTA4HACE
SCHEMBL6169067 0.93 ECE1 (0.77) MMEECE1LTA4HACE
SCHEMBL6169075 0.93 ECE1 (0.77) MMEECE1LTA4HACE
SCHEMBL6171226 0.92 ECE1 (0.73) MMEECE1LTA4HACE
SCHEMBL6170852 0.92 ECE1 (0.73) MMEECE1LTA4HACE
SCHEMBL6171492 0.92 ECE1 (0.73) MMEECE1LTA4HACE
SCHEMBL7321943 0.90 ECE1 (0.70) MMEECE1LTA4HACE

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-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 claimed
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