SCHEMBL7356109

SCHEMBL7356109

O=C(NC1CCC(=O)N2CCC[C@@H](C(=O)O)N2C1=O)C(=S)Cc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACE P12821 7/20 0.66
MME P08473 4/20 0.66
CASP1 P29466 7/20 0.50
IL1B P01584 2/20 0.46
LCK P06239 6/20 0.45

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
SCHEMBL7380917 0.94 ACE (0.65) ACEMMECASP1IL1BLCK
SCHEMBL7384249 0.91 ACE (0.55) ACEMMECASP1IL1BLCK
SCHEMBL7348133 0.86 ACE (0.64) ACEMME
SCHEMBL8314652 0.86 ACE (0.64) ACEMME
SCHEMBL8314075 0.86 MME (0.49) ACEMMECASP1IL1BLCK
SCHEMBL7377944 0.85 MME (0.51) ACEMMECASP1IL1BLCK
SCHEMBL7384424 0.85 ACE (0.51) ACEMMECASP1IL1BLCK
SCHEMBL7378088 0.85 ACE (0.60) ACEMME
SCHEMBL2216302 0.85 ACE (0.63) ACEMMECASP1IL1BLCK
SCHEMBL645840 0.85 ACE (0.63) ACEMMECASP1IL1BLCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0640086-B1 MERCAPTOACETYLAMIDO PYRIDAZO[ 1,2-a][1,2]DIAZEPINE DERIVATIVES USEFUL AS INHIBITORS OF ENKEPHALINASE AND ACE MERRELL PHARMA INC (US) 1999-08-04 EP claimed
US-5366973-A Enkephalinase inhibitors, bradykinin inhibitors or inhibitors of angiotensin converting enzymes as analgesics, diuretics or hypotensive agents MERRELL DOW PHARMACEUTICALS INC. (US) 1994-11-22 US claimed
EP-0640086-B1 MERCAPTOACETYLAMIDO PYRIDAZO[ 1,2-a][1,2]DIAZEPINE DERIVATIVES USEFUL AS INHIBITORS OF ENKEPHALINASE AND ACE MERRELL PHARMA INC (US) 1999-08-04 EP disclosed
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
US-5366973-A Enkephalinase inhibitors, bradykinin inhibitors or inhibitors of angiotensin converting enzymes as analgesics, diuretics or hypotensive agents MERRELL DOW PHARMACEUTICALS INC. (US) 1994-11-22 US 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