SCHEMBL9725838

SCHEMBL9725838

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

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACE P12821 13/20 0.48
ABCB11 O95342 1/20 0.48
LMNA P02545 2/20 0.42
PDE3A Q14432 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
USP2 O75604 1/20 0.40
CYP3A4 P08684 1/20 0.40
ALOX15 P16050 1/20 0.40

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
SCHEMBL9725994 0.94 ACE (0.54) ACEABCB11LMNAPDE3AMEN1
SCHEMBL9547751 0.94 ACE (0.54) ACEABCB11LMNAPDE3AMEN1
SCHEMBL9725879 0.94 ACE (0.54) ACEABCB11LMNAPDE3AMEN1
SCHEMBL10530754 0.90 ACE (0.51) ACEABCB11LMNAPDE3AMEN1
Hydrochloric Acid SCHEMBL9725899 0.90 ACE (0.51) ACEABCB11LMNAPDE3A
Bromide SCHEMBL9725808 0.90 ACE (0.51) ACEABCB11LMNAPDE3AMEN1
SCHEMBL9726073 0.89 ACE (0.49) ACEABCB11LMNAPDE3AMEN1
SCHEMBL9547830 0.87 ACE (0.58) ACEABCB11LMNAPDE3AMEN1
SCHEMBL9726043 0.86 ACE (0.41) ACEABCB11
SCHEMBL16364870 0.86 ACE (0.57) 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