SCHEMBL7348441

SCHEMBL7348441

O=C(O)[C@H]1CCN2CCC[C@H](NC(=O)[C@H](Br)Cc3ccccc3)C(=O)N2C1

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ACE P12821 8/20 0.54
MME P08473 7/20 0.54

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
SCHEMBL7348889 0.85 ACE (0.51) ACEMME
SCHEMBL7350129 0.85 ACE (0.51) ACEMME
SCHEMBL7355895 0.84 ACE (0.55) ACEMME
SCHEMBL7374154 0.81 ACE (0.78) ACEMME
SCHEMBL7351462 0.81 ACE (0.78) ACEMME
SCHEMBL7352107 0.79 ACE (0.43) ACEMME
SCHEMBL7473658 0.77 ACE (0.45) ACEMME
SCHEMBL7348517 0.77 ACE (0.45) ACEMME
SCHEMBL9312905 0.74 ACE (0.79) ACEMME
SCHEMBL8317625 0.74 ACE (0.79) 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 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