SCHEMBL7562252

SCHEMBL7562252

CC(=O)S[C@@H](Cc1ccc2c(c1)OCCO2)C(=O)NC1CCC(=O)N2CC[C@@H](C(=O)O)N2C1=O

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MME P08473 3/20 0.54
ACE P12821 3/20 0.54
LCK P06239 16/20 0.39
PTGER4 P35408 1/20 0.37

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
SCHEMBL7562249 1.00 MME (0.54) MMEACELCKPTGER4
SCHEMBL7381684 0.95 MME (0.54) MMEACELCK
SCHEMBL7386106 0.95 MME (0.54) MMEACELCK
SCHEMBL7381687 0.95 MME (0.54) MMEACELCK
SCHEMBL7353372 0.91 MME (0.55) MMEACELCK
SCHEMBL7384924 0.91 MME (0.55) MMEACELCK
SCHEMBL7378834 0.86 ACE (0.72) MMEACELCK
SCHEMBL7381714 0.86 ACE (0.72) MMEACELCK
SCHEMBL7374034 0.86 ACE (0.72) MMEACELCK
SCHEMBL7341078 0.86 ACE (0.72) MMEACELCK

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