SCHEMBL7472991

SCHEMBL7472991

CCOC(=O)C1=C(CSCC=O)NC(C)=C(C(=O)OC)C1c1cccc(C(F)(F)F)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1F O60840 4/20 0.61
CACNA1D Q01668 4/20 0.61
CACNA1S Q13698 4/20 0.61
CACNA1C Q13936 4/20 0.61
ADORA3 P0DMS8 2/20 0.50
HIF1A Q16665 3/20 0.49
MEN1 O00255 2/20 0.49
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
KMT2A Q03164 2/20 0.49
MAPT P10636 2/20 0.49
LMNA P02545 1/20 0.49
POLB P06746 1/20 0.49
MAPK1 P28482 1/20 0.49
GPR55 Q9Y2T6 1/20 0.49
CYP2D6 P10635 1/20 0.49
TSHR P16473 1/20 0.49
NFKB1 P19838 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
SCHEMBL7416130 0.89 CACNA1C (0.61) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL7461451 0.87 CACNA1F (0.62) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL7473705 0.86 CACNA1F (0.61) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL9503033 0.85 CACNA1F (0.80) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL9505389 0.85 CACNA1F (0.68) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL9513433 0.85 CACNA1F (0.68) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL9874738 0.84 CACNA1F (0.58) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL7462129 0.84 CACNA1F (0.56) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL9668237 0.84 CACNA1F (0.56) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL7524920 0.84 HIF1A (0.73) 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