Spirapril

Spirapril

SCHEMBL7338589

CCOC(=O)C(CCc1ccccc1)N[C@@H](C)C(=O)N1CC2(CC1C(=O)O)SCCS2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACE

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

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACE known ✓ P12821 15/20 0.83
ABCB11 O95342 2/20 0.98
LMNA P02545 2/20 0.66
SMN1; SMN2 Q16637 1/20 0.61
PDE3A Q14432 1/20 0.58
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
USP2 O75604 1/20 0.57
CYP3A4 P08684 1/20 0.57
ALOX15 P16050 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
Spirapril SCHEMBL11052621 1.00 ABCB11 (0.98) ABCB11ACELMNASMN1; SMN2PDE3A
Spirapril SCHEMBL7340600 1.00 ABCB11 (0.98) ABCB11ACELMNASMN1; SMN2PDE3A
Spirapril SCHEMBL7338593 1.00 ABCB11 (0.98) ABCB11ACELMNASMN1; SMN2PDE3A
Spirapril SCHEMBL1649585 1.00 ABCB11 (0.98) ABCB11ACELMNASMN1; SMN2PDE3A
Spirapril SCHEMBL6506406 1.00 ABCB11 (0.98) ABCB11ACELMNASMN1; SMN2PDE3A
Spirapril SCHEMBL11052614 1.00 ABCB11 (0.98) ABCB11ACELMNASMN1; SMN2PDE3A
Spirapril SCHEMBL3785516 1.00 ABCB11 (0.98) ABCB11ACELMNASMN1; SMN2PDE3A
Spirapril SCHEMBL17202 1.00 ABCB11 (0.98) ABCB11ACELMNASMN1; SMN2PDE3A
Spirapril SCHEMBL387353 0.99 ABCB11 (1.00) ABCB11ACELMNASMN1; SMN2PDE3A
Spirapril SCHEMBL14660503 0.99 ABCB11 (1.00) ABCB11ACELMNASMN1; SMN2PDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0050800-B2 Carboxyalkyl dipeptides, processes for their production and pharmaceutical compositions containing them SCHERING CORP (US) 1995-06-07 EP disclosed
US-5348944-A Hypotensive agents SCHERING CORPORATION (US) 1994-09-20 US disclosed
EP-0050800-B1 CARBOXYALKYL DIPEPTIDES, PROCESSES FOR THEIR PRODUCTION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SCHERING CORPORATION (US) 1986-06-18 EP disclosed
US-4470972-A 7-Carboxyalkylaminoacyl-1,4-dithia-7-azaspiro[4.4]-nonane-8-carboxylic acids SCHERING CORPORATION (US) 1984-09-11 US disclosed
EP-0050800-A1 Carboxyalkyl dipeptides, processes for their production and pharmaceutical compositions containing them SCHERING CORPORATION (US) 1982-05-05 EP disclosed