SCHEMBL7352272

SCHEMBL7352272

O=C(N[C@H]1CCC(=O)N2CC[C@H](C(=O)O)CN2C1=O)C(=S)Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MME P08473 4/20 0.45
ACE P12821 4/20 0.45
L3MBTL1 Q9Y468 1/20 0.40
S1PR5 Q9H228 1/20 0.39
NOTUM Q6P988 2/20 0.35
CASP1 P29466 2/20 0.34
POLB P06746 3/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL7352107 0.84 ACE (0.43) MMEACEL3MBTL1S1PR5NOTUM
SCHEMBL7380917 0.83 ACE (0.65) MMEACECASP1
SCHEMBL7356109 0.79 ACE (0.66) MMEACECASP1
SCHEMBL7355895 0.79 ACE (0.55) MMEACE
SCHEMBL7355833 0.76 ACE (0.52) MMEACE
SCHEMBL7347578 0.76 ACE (0.52) MMEACE
SCHEMBL8314075 0.75 MME (0.49) MMEACECASP1
SCHEMBL8314652 0.70 ACE (0.64) MMEACE
SCHEMBL7348133 0.70 ACE (0.64) MMEACE
SCHEMBL7384249 0.70 ACE (0.55) MMEACECASP1

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