SCHEMBL7350509

SCHEMBL7350509

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

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACE P12821 4/20 0.35
POLB P06746 1/20 0.34
MME P08473 3/20 0.33
SMN1; SMN2 Q16637 5/20 0.32
ALDH1A1 P00352 4/20 0.32
GAA P10253 1/20 0.32
EPHX2 P34913 1/20 0.32
HRH1 P35367 1/20 0.31
SLC22A8 Q8TCC7 1/20 0.31
CYP2C19 P33261 1/20 0.31
RAB9A P51151 2/20 0.31
NPC1 O15118 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL7384249 0.78 ACE (0.55) ACEMMEEPHX2
SCHEMBL7350363 0.76 ACE (0.40) ACEMME
SCHEMBL7358316 0.72 HRH4 (0.37) ACEMME
SCHEMBL7380917 0.71 ACE (0.65) ACEMME
SCHEMBL7356109 0.69 ACE (0.66) ACEMME
SCHEMBL7353314 0.69 KMT2A (0.38) POLBSMN1; SMN2ALDH1A1GAAEPHX2
SCHEMBL7348133 0.68 ACE (0.64) ACEMME
SCHEMBL8314652 0.68 ACE (0.64) ACEMME
SCHEMBL7379670 0.67 ACE (0.55) ACEPOLBMMEALDH1A1EPHX2
SCHEMBL7378088 0.67 ACE (0.60) 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 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