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Spirapril

Spirapril

SCHEMBL6506406

CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1CC2(C[C@H]1C(=O)O)SCCS2.CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1CC2(C[C@H]1C(=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 SCHEMBL7338589 1.00 ABCB11 (0.98) ABCB11ACELMNASMN1; SMN2PDE3A
Spirapril SCHEMBL1649585 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005079772-A2 COMBINATION OF (S)-AMLODIPINE AND AN ACE INHIBITOR, AND METHODS FOR REDUCING HYPERTENSION SEPRACOR INC. (US) 2005-09-01 — — WO disclosed