SCHEMBL7473850

SCHEMBL7473850

CCOC(=O)C1=CN(SCCN)C(C)=C(C(=O)OCC)C1c1cccc([N+](=O)[O-])c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1F O60840 12/20 0.56
CACNA1D Q01668 12/20 0.56
CACNA1S Q13698 12/20 0.56
CACNA1C Q13936 12/20 0.56
ADORA3 P0DMS8 1/20 0.56
MAPT P10636 4/20 0.54
CYP1A2 P05177 3/20 0.54
CYP3A4 P08684 3/20 0.54
CYP2C9 P11712 3/20 0.54
CYP2C19 P33261 3/20 0.54
CYP2D6 P10635 2/20 0.54
TSHR P16473 2/20 0.54
NFKB1 P19838 2/20 0.54
LMNA P02545 2/20 0.54
GMNN O75496 1/20 0.54
BLM P54132 1/20 0.54
PMP22 Q01453 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
PDE4B Q07343 1/20 0.54
PDE4D Q08499 1/20 0.54

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
SCHEMBL9874156 0.83 CACNA1F (0.63) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL10694133 0.82 CACNA1F (0.62) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL10472338 0.79 PDE4B (0.66) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL10653186 0.78 CACNA1F (0.73) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL7325980 0.78 CACNA1F (0.53) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL11100046 0.77 CACNA1F (0.57) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL10386124 0.77 MAPT (0.56) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL7325975 0.77 CACNA1F (0.52) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL10515946 0.77 CYP1A2 (0.62) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL9744737 0.76 CACNA1C (0.56) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5021436-A Antiulcer, anticoagulant, antiischaemic agent BOEHRINGER MANNHEIM ITALIA, S.P.A. (IT) 1991-06-04 US disclosed
US-4999362-A Hypotensive, Antiulcer, Cytoprotective, Antithrombotic Agents BOEHRINGER BIOCHEMIA ROBIN S.P.A. (IT) 1991-03-12 US disclosed
EP-0233228-A1 PHARMACEUTICALLY ACTIVE 2-THIOMETHYL-SUBSTITUTED-1,4-DIHYDROPYRIDINES BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1987-08-26 EP disclosed
WO-1987000836-A1 PHARMACEUTICALLY ACTIVE 2-THIOMETHYL-SUBSTITUTED-1,4-DIHYDROPYRIDINES BOEHRINGER BIOCHEMIA ROBIN S.P.A. (IT) 1987-02-12 WO disclosed