SCHEMBL8314652

SCHEMBL8314652

O=C(NC1CCCN2CCC[C@H](C(=O)O)N2C1=O)C(=S)Cc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACE P12821 9/20 0.64
MME P08473 6/20 0.64
APP P05067 1/20 0.40
F2 P00734 1/20 0.40
LTA4H P09960 2/20 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
SCHEMBL7348133 1.00 ACE (0.64) ACEMMEAPPF2LTA4H
SCHEMBL7378088 0.97 ACE (0.60) ACEMMEAPPF2LTA4H
SCHEMBL7379670 0.93 ACE (0.55) ACEMMEAPPLTA4H
SCHEMBL7381909 0.93 ACE (0.55) ACEMMEAPPLTA4H
SCHEMBL8313993 0.86 ACE (0.61) ACEMMEAPP
SCHEMBL7356109 0.86 ACE (0.66) ACEMME
SCHEMBL7384249 0.85 ACE (0.55) ACEMME
SCHEMBL8312768 0.85 ACE (0.46) ACEMMEF2
SCHEMBL8314071 0.85 ACE (0.46) ACEMMEF2
SCHEMBL7356825 0.84 ACE (0.49) ACEMME

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-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
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