Quinapril

Quinapril

SCHEMBL4915602

CCOC(=O)[C@H](C)C[C@@H](C)C(=O)N1c2ccccc2C[C@H]1C(=O)O.CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)O

nearest known ligand 0.79

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACE

The experimentally established mechanism targets of Quinapril. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ACE known ✓ P12821 15/20 0.79
ABCB11 O95342 1/20 0.79
PDE3A Q14432 1/20 0.65
LMNA P02545 1/20 0.57

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
Quinapril SCHEMBL29380303 0.89 ACE (1.00) ACEABCB11PDE3ALMNA
Quinapril SCHEMBL29846170 0.89 ACE (1.00) ACEABCB11PDE3ALMNA
Quinapril SCHEMBL13575806 0.89 ACE (1.00) ACEABCB11PDE3ALMNA
Quinapril SCHEMBL11294979 0.89 ACE (1.00) ACEABCB11PDE3ALMNA
Quinapril SCHEMBL11286555 0.89 ACE (1.00) ACEABCB11PDE3ALMNA
Quinapril SCHEMBL9094436 0.89 ACE (1.00) ACEABCB11PDE3ALMNA
Quinapril SCHEMBL19361887 0.89 ACE (1.00) ACEABCB11PDE3ALMNA
Quinapril SCHEMBL678447 0.89 ACE (1.00) ACEABCB11PDE3ALMNA
Quinapril SCHEMBL994608 0.89 ACE (1.00) ACEABCB11PDE3ALMNA
Quinapril SCHEMBL15813 0.89 ACE (1.00) ACEABCB11PDE3ALMNA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080234373-A1 Compound Useful For the Prevention and Treatment of Left Ventricular Hypertrophy in Dialysed Patients SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2008-09-25 US claimed