SCHEMBL11050512

SCHEMBL11050512

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

nearest known ligand 0.73

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACE P12821 11/20 0.73
ABCB11 O95342 1/20 0.73
LMNA P02545 2/20 0.65
PDE3A Q14432 1/20 0.64
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
USP2 O75604 1/20 0.61
CYP3A4 P08684 1/20 0.61
ALOX15 P16050 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.60

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
SCHEMBL11035895 1.00 ACE (0.73) ACEABCB11LMNAPDE3AMEN1
SCHEMBL11050522 1.00 ACE (0.73) ACEABCB11LMNAPDE3AMEN1
SCHEMBL11049974 1.00 ACE (0.73) ACEABCB11LMNAPDE3AMEN1
SCHEMBL11049962 1.00 ACE (0.73) ACEABCB11LMNAPDE3AMEN1
SCHEMBL5175052 0.93 ACE (0.63) ACEABCB11
SCHEMBL8280065 0.91 ACE (0.67) ACEABCB11LMNAPDE3AMEN1
SCHEMBL11187981 0.91 ACE (0.67) ACEABCB11LMNAPDE3AMEN1
Quinapril SCHEMBL4915602 0.87 ACE (0.79) ACEABCB11LMNAPDE3A
Quinapril SCHEMBL19361887 0.85 ACE (1.00) ACEABCB11LMNAPDE3ASMN1; SMN2
Quinapril SCHEMBL678447 0.85 ACE (1.00) ACEABCB11LMNAPDE3ASMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4350633-A ENZYME INHIBITORS, HYPOTENSIVE AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1982-09-21 US claimed
US-4454291-A HYPOTENSIVE AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1984-06-12 US disclosed
US-4454292-A CHEMICAL INTERMEDIATES OF ANGIOTENSIN CONVERTING ENZYNE INHIBITORS AMERICAN HOME PRODUCTS CORPORATION (US) 1984-06-12 US disclosed
US-4350633-A ENZYME INHIBITORS, HYPOTENSIVE AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1982-09-21 US disclosed