SCHEMBL7355833

SCHEMBL7355833

CC(=O)S[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCC(=O)N2CC[C@@H](C(=O)O)CN2C1=O

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACE P12821 12/20 0.52
MME P08473 10/20 0.52
MMP2 P08253 2/20 0.41
LCK P06239 1/20 0.40
ACE2 Q9BYF1 3/20 0.39

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
SCHEMBL7347578 1.00 ACE (0.52) ACEMMEMMP2LCKACE2
SCHEMBL7341078 0.85 ACE (0.72) ACEMMELCKACE2
SCHEMBL7350129 0.85 ACE (0.51) ACEMME
SCHEMBL7348889 0.85 ACE (0.51) ACEMME
SCHEMBL7378834 0.85 ACE (0.72) ACEMMELCKACE2
SCHEMBL7374034 0.85 ACE (0.72) ACEMMELCKACE2
SCHEMBL7381714 0.85 ACE (0.72) ACEMMELCKACE2
SCHEMBL7355895 0.85 ACE (0.55) ACEMMEMMP2ACE2
SCHEMBL7350228 0.82 ACE (0.73) ACEMMELCK
SCHEMBL9313548 0.82 ACE (0.73) ACEMMELCK

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-0640086-A1 NOVEL MERCAPTOACETYLAMIDO PYRIDAZO 1,2]PYRIDAZINE, PYRAZOLO 1,2]PYRIDAZINE, PYRIDAZO 1,2-a] 1,2]DIAZEPINE AND PYRAZOLO 1,2-a] 1,2]DIAZEPINE DERIVATIVES USEFUL AS INHIBITORS OF ENKEPHALINASE AND ACE MERRELL PHARMACEUTICALS INC. (US) 1995-03-01 EP disclosed
WO-1993023403-A1 NOVEL MERCAPTOACETYLAMIDO PYRIDAZO[1,2]PYRIDAZINE, PYRAZOLO[1,2]PYRIDAZINE, PYRIDAZO[1,2-a][1,2]DIAZEPINE AND PYRAZOLO[1,2-a][1,2]DIAZEPINE DERIVATIVES USEFUL AS INHIBITORS OF ENKEPHALINASE AND ACE MERRELL DOW PHARMACEUTICALS INC. (US) 1993-11-25 WO disclosed