SCHEMBL7143751

SCHEMBL7143751

CN(CC(=O)CNc1ccc(C(=O)O)cc1)C(=O)[C@@H]1C[C@@H](S)CN1S(=O)(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.47
ACE P12821 2/20 0.47
ECE1 P42892 2/20 0.47
LMNA P02545 2/20 0.35
ALDH1A1 P00352 4/20 0.35
USP2 O75604 1/20 0.35
MMP2 P08253 2/20 0.34
GAA P10253 1/20 0.34
TAS2R14 Q9NYV8 1/20 0.34
CA12 O43570 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ELOVL6 Q9H5J4 1/20 0.33
LIMK2 P53671 1/20 0.33
USP5 P45974 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
SCHEMBL7140421 0.92 MME (0.53) MMEACEECE1LMNAALDH1A1
SCHEMBL7140418 0.92 MME (0.53) MMEACEECE1LMNAALDH1A1
SCHEMBL7141121 0.83 ECE1 (0.66) MMEACEECE1LMNAALDH1A1
SCHEMBL7146637 0.80 MME (0.49) MMEACEECE1LMNAALDH1A1
SCHEMBL7150245 0.79 MME (0.45) MMEACEECE1LMNAALDH1A1
SCHEMBL7148898 0.79 MME (0.40) MMEACEECE1LMNAALDH1A1
SCHEMBL7149006 0.79 MME (0.45) MMEACEECE1LMNAALDH1A1
SCHEMBL7146031 0.79 ECE1 (0.70) MMEACEECE1ALDH1A1GAA
SCHEMBL7143562 0.79 ECE1 (0.70) MMEACEECE1ALDH1A1GAA
SCHEMBL7135602 0.79 MME (0.43) MMEACEECE1LMNAALDH1A1

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-1303485-A1 PYRROLIDINE DERIVATIVES AS INHIBITORS OF ENDOTHELIN-CONVERTING ENZYME F. HOFFMANN-LA ROCHE AG (CH) 2003-04-23 EP disclosed
WO-2002006222-A1 PYRROLIDINE DERIVATIVES AS INHIBITORS OF ENDOTHELIN-CONVERTING ENZYME F. HOFFMANN-LA ROCHE AG (CH) 2002-01-24 WO disclosed