SCHEMBL7353372

SCHEMBL7353372

CC(=O)S[C@@H](Cc1ccc2c(c1)OCO2)C(=O)NC1CCC(=O)N2CCC[C@@H](C(=O)O)N2C1=O

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.55
ACE P12821 2/20 0.55
LCK P06239 17/20 0.44
TSHR P16473 1/20 0.43

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
SCHEMBL7384924 1.00 MME (0.55) MMEACELCKTSHR
SCHEMBL7386106 0.95 MME (0.54) MMEACELCKTSHR
SCHEMBL7381684 0.95 MME (0.54) MMEACELCKTSHR
SCHEMBL7381687 0.95 MME (0.54) MMEACELCKTSHR
SCHEMBL7383262 0.93 ACE (0.46) MMEACELCKTSHR
SCHEMBL7379308 0.93 ACE (0.46) MMEACELCKTSHR
SCHEMBL7562249 0.91 MME (0.54) MMEACELCK
SCHEMBL7562252 0.91 MME (0.54) MMEACELCK
SCHEMBL7383370 0.89 ACE (0.53) MMEACETSHR
SCHEMBL7381994 0.89 ACE (0.53) MMEACETSHR

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