SCHEMBL7378484

SCHEMBL7378484

CC(C)(C)C(=O)OCS[C@@H](Cc1ccccc1)C(=O)NC1CC(=O)N2CC=C[C@@H](C(=O)O)N2C1=O

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.37
ACE P12821 6/20 0.36
MME P08473 5/20 0.36
SCN9A Q15858 5/20 0.35
SCN10A Q9Y5Y9 1/20 0.35
CTSL P07711 4/20 0.34
CTSB P07858 4/20 0.34

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
SCHEMBL7358316 1.00 HRH4 (0.37) HRH4ACEMMESCN9ASCN10A
SCHEMBL7377799 0.88 HRH4 (0.35) HRH4ACE
SCHEMBL7379210 0.88 HRH4 (0.35) HRH4ACE
SCHEMBL7353181 0.86 ACE (0.40) ACEMMECTSLCTSB
SCHEMBL7350363 0.86 ACE (0.40) ACEMMECTSLCTSB
SCHEMBL7386101 0.83 ACE (0.55) ACEMME
SCHEMBL7380643 0.83 ACE (0.55) ACEMME
SCHEMBL7373285 0.77 ACE (0.64) ACEMMESCN9ASCN10A
SCHEMBL7373995 0.77 ACE (0.64) ACEMMESCN9ASCN10A
SCHEMBL7373282 0.77 ACE (0.64) ACEMMESCN9ASCN10A

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 3 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
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