SCHEMBL7275064

SCHEMBL7275064

CNC(=O)N1C(=O)NC(C)=C(C(=O)O)C1c1cccc([N+](=O)[O-])c1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CACNA1F O60840 11/20 0.61
CACNA1D Q01668 11/20 0.61
CACNA1S Q13698 11/20 0.61
CACNA1C Q13936 11/20 0.61
ADORA3 P0DMS8 1/20 0.47

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
SCHEMBL7274682 0.90 CACNA1F (0.64) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL7265084 0.89 CACNA1F (0.66) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL7265098 0.89 CACNA1F (0.58) CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL7267141 0.87 CACNA1F (0.63) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL7265800 0.86 CACNA1F (0.58) CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL6322062 0.85 CACNA1F (0.54) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL9476160 0.85 CACNA1F (0.67) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL9478573 0.85 CACNA1F (0.64) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL7265537 0.85 CACNA1F (0.63) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL10556213 0.84 CACNA1F (0.58) CACNA1FCACNA1DCACNA1SCACNA1CADORA3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0237347-B1 1,2,3,4-Tetrahydro-6-substituted-4-aryl (or heterocyclo)-3-[(substituted amino)carbonyl]-2-thioxo (or oxo)-5-pyrimidinecarboxylic acids and esters E.R. Squibb & Sons, Inc. (US) 1991-06-12 EP disclosed
US-4855301-A 1,2,3,4-Tetrahydro-6-substituted-4-aryl(or heterocyclo)-3-((substituted amino)carbonyl)-2-thioxo (or oxo)-5-pyrimidinecarboxylic acids and esters E. R. SQUIBB & SONS, INC. (US) 1989-08-08 US disclosed
EP-0237347-A2 1,2,3,4-Tetrahydro-6-substituted-4-aryl (or heterocyclo)-3-[(substituted amino)carbonyl]-2-thioxo (or oxo)-5-pyrimidinecarboxylic acids and esters E.R. Squibb & Sons, Inc. (US) 1987-09-16 EP disclosed