SCHEMBL9744740

SCHEMBL9744740

CCOC(=O)C1=C(C)NC(C=Cc2ccccc2S)=C(C(=O)OCC)C1c1cccc(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 11/20 0.55
ABCC1 P33527 1/20 0.48
CACNA1F O60840 2/20 0.48
CACNA1D Q01668 2/20 0.48
CACNA1S Q13698 2/20 0.48
CACNA1C Q13936 2/20 0.48
ADORA3 P0DMS8 2/20 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
SCHEMBL10786311 0.82 CACNA1B (0.56) CACNA1BABCC1CACNA1FCACNA1DCACNA1S
SCHEMBL3026966 0.81 ABCC1 (0.71) CACNA1BABCC1CACNA1FCACNA1DCACNA1S
SCHEMBL9744733 0.77 CACNA1B (0.55) CACNA1BABCC1CACNA1FCACNA1DCACNA1S
SCHEMBL7266484 0.77 CACNA1B (0.73) CACNA1BABCC1CACNA1FCACNA1DCACNA1S
SCHEMBL11771568 0.77 ABCC1 (0.61) CACNA1BABCC1CACNA1FCACNA1DCACNA1S
SCHEMBL11526085 0.77 ABCC1 (0.61) CACNA1BABCC1CACNA1FCACNA1DCACNA1S
SCHEMBL9502243 0.77 ADORA3 (0.73) CACNA1BABCC1CACNA1FCACNA1DCACNA1S
SCHEMBL9675983 0.77 ABCC1 (0.57) CACNA1BABCC1CACNA1FCACNA1DCACNA1S
SCHEMBL9745152 0.76 CACNA1B (0.51) CACNA1BADORA3
SCHEMBL11779267 0.76 CACNA1B (0.65) CACNA1BABCC1CACNA1FCACNA1DCACNA1S

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0215250-B1 2-SUBSTITUTED-1,4-DIHYDROPYRIDINES, METHOD FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1992-12-30 EP claimed
US-4845113-A USEFUL IN RADICAL SCAVENGING THERAPY BOEHRINGER BIOCHEMIA ROBIN S.P.A. (IT) 1989-07-04 US claimed
EP-0215250-A1 2-Substituted-1,4-dihydropyridines, method for their preparation and pharmaceutical compositions containing them BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1987-03-25 EP claimed
EP-0215250-B1 2-SUBSTITUTED-1,4-DIHYDROPYRIDINES, METHOD FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1992-12-30 EP disclosed
US-4845113-A USEFUL IN RADICAL SCAVENGING THERAPY BOEHRINGER BIOCHEMIA ROBIN S.P.A. (IT) 1989-07-04 US disclosed
EP-0215250-A1 2-Substituted-1,4-dihydropyridines, method for their preparation and pharmaceutical compositions containing them BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1987-03-25 EP disclosed