SCHEMBL9725994

SCHEMBL9725994

CCOC(=O)[C@@H](CCc1ccccc1)N[C@@H](C)C(=O)N(CC(=O)OC(C)(C)C)C1Cc2ccccc2C1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACE P12821 12/20 0.54
ABCB11 O95342 1/20 0.54
LMNA P02545 2/20 0.47
PDE3A Q14432 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
USP2 O75604 1/20 0.45
CYP3A4 P08684 1/20 0.45
ALOX15 P16050 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL9547751 1.00 ACE (0.54) ACEABCB11LMNAPDE3AMEN1
SCHEMBL9725879 1.00 ACE (0.54) ACEABCB11LMNAPDE3AMEN1
SCHEMBL9726073 0.95 ACE (0.49) ACEABCB11LMNAPDE3AMEN1
SCHEMBL9725838 0.94 ACE (0.48) ACEABCB11LMNAPDE3AMEN1
SCHEMBL9547830 0.93 ACE (0.58) ACEABCB11LMNAPDE3AMEN1
SCHEMBL16364870 0.92 ACE (0.57) ACEABCB11LMNAPDE3AMEN1
SCHEMBL9547743 0.90 ACE (0.55) ACEABCB11LMNAPDE3AMEN1
Delapril SCHEMBL3205477 0.90 ACE (0.58) ACEABCB11LMNAPDE3AMEN1
Delapril SCHEMBL6511960 0.90 ACE (0.58) ACEABCB11LMNAPDE3AMEN1
Delapril SCHEMBL20840151 0.90 ACE (0.58) ACEABCB11LMNAPDE3AMEN1

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
US-5098892-A Angiotensin converting enzyme inhibitors as hypotensive agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-03-24 US disclosed
US-4822818-A ANTIHYPERTENSIVE AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-04-18 US disclosed
US-4474692-A L-Alanyl-N-(indan-2-yl)glycine, its esters and salts thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1984-10-02 US disclosed
EP-0051391-B1 BICYCLIC COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1984-09-05 EP disclosed
EP-0051391-A1 Bicyclic compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1982-05-12 EP disclosed