SCHEMBL9725923

SCHEMBL9725923

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

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LNPEP Q9UIQ6 1/20 0.37
ELANE P08246 3/20 0.34
SCN9A Q15858 1/20 0.33
LARS1 Q9P2J5 1/20 0.33
ANPEP P15144 1/20 0.32
RNPEP Q9H4A4 1/20 0.32
DNPEP Q9ULA0 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CACNA1B Q00975 1/20 0.32
PTPRC P08575 1/20 0.32

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
SCHEMBL10416255 0.88 ELANE (0.35) ELANE
Acetic Acid SCHEMBL10568456 0.85 ELANE (0.36) ELANE
Oxalic Acid SCHEMBL7369077 0.85 ELANE (0.36) LNPEPELANE
SCHEMBL6261622 0.75 ELANE (0.49) ELANE
SCHEMBL6261618 0.75 ELANE (0.49) ELANE
SCHEMBL10529734 0.74 ELANE (0.51) ELANE
Oxalic Acid SCHEMBL11038029 0.73 DPP8 (0.53) ELANEANPEP
SCHEMBL9725898 0.71 OPRD1 (0.39)
SCHEMBL9547751 0.70 ACE (0.54)
SCHEMBL9725994 0.70 ACE (0.54)

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