Quinapril

Quinapril

SCHEMBL153436

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

nearest known ligand 0.98

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 5)

geneUniProtsupporting neighboursconfidence
ACE known ✓ P12821 16/20 0.98
ABCB11 O95342 2/20 0.98
PDE3A Q14432 1/20 0.79
LMNA P02545 1/20 0.69
SMN1; SMN2 Q16637 1/20 0.64

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 SCHEMBL7421784 1.00 ACE (0.98) ACEABCB11PDE3ALMNASMN1; SMN2
Quinapril SCHEMBL4359590 1.00 ACE (0.98) ACEABCB11PDE3ALMNASMN1; SMN2
Quinapril SCHEMBL6548496 1.00 ACE (0.98) ACEABCB11PDE3ALMNASMN1; SMN2
Quinapril SCHEMBL29381792 1.00 ACE (0.98) ACEABCB11PDE3ALMNASMN1; SMN2
Quinapril SCHEMBL29357257 1.00 ACE (0.98) ACEABCB11PDE3ALMNASMN1; SMN2
Quinapril SCHEMBL41404 1.00 ACE (0.98) ACEABCB11PDE3ALMNASMN1; SMN2
Quinapril SCHEMBL678447 0.99 ACE (1.00) ACEABCB11PDE3ALMNASMN1; SMN2
Quinapril SCHEMBL11294979 0.99 ACE (1.00) ACEABCB11PDE3ALMNASMN1; SMN2
Quinapril SCHEMBL9094436 0.99 ACE (1.00) ACEABCB11PDE3ALMNASMN1; SMN2
Quinapril SCHEMBL19361887 0.99 ACE (1.00) ACEABCB11PDE3ALMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0617001-A1 Phenoxyphenylacetic acid derivatives MERCK & CO. INC. (US) 1994-09-28 EP claimed
EP-2432458-A2 INGESTIBLE EVENT MARKERS COMPRISING AN INGESTIBLE COMPONENT Proteus Biomedical, Inc. (US) 2012-03-28 EP disclosed
EP-2427178-A2 DERMAL DELIVERY COMPOSITIONS COMPRISING ACTIVE AGENT-CALCIUM PHOSPHATE PARTICLE COMPLEXES AND METHODS OF USING THE SAME Laboratory Skin Care, Inc. (US) 2012-03-14 EP disclosed
US-20120059257-A1 Ingestible Event Markers Comprising an Ingestible Component OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-03-08 US disclosed
US-20110189239-A1 Dermal Delivery Compositions Comprising Active Agent-Calcium Phosphate Particle Complexes and Methods of Using the Same LABORATORY SKIN CARE, INC. 2011-08-04 US disclosed
US-20110105864-A1 Pharma-Informatics System OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-05-05 US disclosed