SCHEMBL9478573

SCHEMBL9478573

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

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CACNA1F O60840 11/20 0.64
CACNA1D Q01668 11/20 0.64
CACNA1S Q13698 11/20 0.64
CACNA1C Q13936 11/20 0.64
NR3C2 P08235 1/20 0.50
ADORA3 P0DMS8 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 0.89 CACNA1F (0.66) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL7267141 0.87 CACNA1F (0.63) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL7275064 0.85 CACNA1F (0.61) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL7265537 0.85 CACNA1F (0.63) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL9476160 0.85 CACNA1F (0.67) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL7274682 0.83 CACNA1F (0.64) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL8329610 0.83 CACNA1F (0.58) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL7265098 0.82 CACNA1F (0.58) CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL7266670 0.82 CACNA1F (0.58) CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL7272598 0.82 CACNA1F (0.57) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5202330-A Hypotensive and cardiovascular agent, reduces blood pressure in mammals E. R. SQUIBB & SONS, INC. (US) 1993-04-13 US disclosed
EP-0204317-A2 2-Thio or oxo-4-aryl or heterocyclo-1,5(2H)-pyrimidinedicarboxylic acid diesters and 3-acyl-5-pyrimidinecarboxylic acids and esters E.R. Squibb & Sons, Inc. (US) 1986-12-10 EP disclosed