SCHEMBL7318448

SCHEMBL7318448

COC(=O)C1=C(C)NC(CSCOc2ccccc2)=C(C(=O)OC)C1c1cccc(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 9/20 0.49
ADORA3 P0DMS8 1/20 0.47
CACNA1F O60840 1/20 0.46
CACNA1D Q01668 1/20 0.46
CACNA1S Q13698 1/20 0.46
CACNA1C Q13936 1/20 0.46

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
SCHEMBL9501260 0.83 ADORA3 (0.57) CACNA1BADORA3CACNA1FCACNA1DCACNA1S
SCHEMBL7419122 0.80 ADORA3 (0.53) CACNA1BADORA3CACNA1FCACNA1DCACNA1S
SCHEMBL7316147 0.80 ADORA3 (0.53) CACNA1BADORA3CACNA1FCACNA1DCACNA1S
Hydrochloric Acid SCHEMBL7464705 0.80 CACNA1B (0.47) CACNA1BADORA3CACNA1FCACNA1DCACNA1S
SCHEMBL7471880 0.78 ADORA3 (0.51) CACNA1BADORA3CACNA1FCACNA1DCACNA1S
SCHEMBL7350256 0.78 CACNA1B (0.57) CACNA1BADORA3CACNA1FCACNA1DCACNA1S
SCHEMBL9669318 0.78 ADORA3 (0.50) CACNA1BADORA3CACNA1FCACNA1DCACNA1S
SCHEMBL7267420 0.77 CACNA1B (0.68) CACNA1BADORA3
SCHEMBL7318265 0.77 CACNA1B (0.51) CACNA1BADORA3CACNA1FCACNA1DCACNA1S
SCHEMBL7322259 0.76 CACNA1B (0.53) CACNA1BADORA3CACNA1FCACNA1DCACNA1S

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-0271059-B1 2-Methylthiomethyl-dihydropyridines, a process for their preparation and pharmaceutical compositions containing them BOEHRINGER MANNHEIM ITALIA (IT) 1993-10-20 EP claimed
EP-0271059-A1 2-Methylthiomethyl-dihydropyridines, a process for their preparation and pharmaceutical compositions containing them BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1988-06-15 EP claimed
EP-0271059-B1 2-Methylthiomethyl-dihydropyridines, a process for their preparation and pharmaceutical compositions containing them BOEHRINGER MANNHEIM ITALIA (IT) 1993-10-20 EP disclosed
US-4971984-A Cardiovascular disorders, hypotensive agints BEEHRINGER BIOCHEMIA ROBIN S.P.A. (IT) 1990-11-20 US disclosed
EP-0271059-A1 2-Methylthiomethyl-dihydropyridines, a process for their preparation and pharmaceutical compositions containing them BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1988-06-15 EP disclosed