SCHEMBL7416581

SCHEMBL7416581

CCOC(=O)C1=C(CCl)NC(C)=C([N+](=O)[O-])C1c1cccc([N+](=O)[O-])c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1F O60840 13/20 0.69
CACNA1D Q01668 13/20 0.69
CACNA1S Q13698 13/20 0.69
CACNA1C Q13936 13/20 0.69
ADORA3 P0DMS8 1/20 0.69
HIF1A Q16665 3/20 0.64
MEN1 O00255 2/20 0.64
CYP1A2 P05177 2/20 0.64
CYP3A4 P08684 2/20 0.64
CYP2C9 P11712 2/20 0.64
CYP2C19 P33261 2/20 0.64
KMT2A Q03164 2/20 0.64
MAPT P10636 2/20 0.64
LMNA P02545 1/20 0.64
POLB P06746 1/20 0.64
MAPK1 P28482 1/20 0.64
GPR55 Q9Y2T6 1/20 0.64
CYP2D6 P10635 1/20 0.64
TSHR P16473 1/20 0.64
NFKB1 P19838 1/20 0.64

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
SCHEMBL6590571 0.92 CACNA1F (0.82) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
Hydrochloric Acid SCHEMBL10760936 0.90 CACNA1F (0.64) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL9511761 0.89 CACNA1F (0.74) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL11380790 0.89 CACNA1F (0.87) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL7467561 0.89 CACNA1F (0.64) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL7273976 0.88 HIF1A (0.83) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL9808343 0.88 HIF1A (0.83) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL9511812 0.88 HIF1A (0.83) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL7473659 0.88 HIF1A (0.83) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL7476406 0.85 CACNA1F (0.62) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0212340-B1 2-(heteroalkyl)-1,4-dihydropyridines, process for their preparations and pharmaceutical compositions containing them BOEHRINGER MANNHEIM ITALIA (IT) 1993-10-27 EP claimed
EP-0212340-B1 2-(heteroalkyl)-1,4-dihydropyridines, process for their preparations and pharmaceutical compositions containing them BOEHRINGER MANNHEIM ITALIA (IT) 1993-10-27 EP disclosed
EP-0458823-B1 A PROCESS FOR PREPARATION OF ENANTIOMERICALLY PURE POLYSUBSTITUTED 1,4-DIHYDROPYRIDINES BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1993-10-13 EP disclosed
US-5245039-A PROCESS FOR PREPARATION OF ENANTIOMERICALLY PURE POLYSUBSTITUTED 1,4-DIHYDROPYRIDINES BOEHRINGER MANNHEIM ITALIA (IT) 1993-09-14 US disclosed
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
WO-1990009376-A1 A PROCESS FOR PREPARATION OF ENANTIOMERICALLY PURE POLYSUBSTITUTED 1,4-DIHYDROPYRIDINES BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1990-08-23 WO disclosed
US-4839348-A HYPOTENSIVE AGENTS; ANTICOAGULANTS, ANTIISCHEMIC AGENTS BOEHRINGER BIOCHEMIA ROBIN S.P.A. (IT) 1989-06-13 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