SCHEMBL7267141

SCHEMBL7267141

CC1=C(C(=O)O)C(c2cccc([N+](=O)[O-])c2)N(C(N)=O)C(=O)N1

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CACNA1F O60840 11/20 0.63
CACNA1D Q01668 11/20 0.63
CACNA1S Q13698 11/20 0.63
CACNA1C Q13936 11/20 0.63
ADORA3 P0DMS8 1/20 0.51
PDE1C Q14123 1/20 0.49

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
SCHEMBL7265084 0.91 CACNA1F (0.66) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL7265537 0.87 CACNA1F (0.63) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL7275064 0.87 CACNA1F (0.61) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL9476160 0.87 CACNA1F (0.67) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL9478573 0.87 CACNA1F (0.64) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL29669562 0.86 CACNA1C (0.79) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL7274682 0.85 CACNA1F (0.64) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL8329610 0.85 CACNA1F (0.58) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL7266670 0.84 CACNA1F (0.58) CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL7265098 0.84 CACNA1F (0.58) CACNA1FCACNA1DCACNA1SCACNA1C

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
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 claimed
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 claimed
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