SCHEMBL6590571

SCHEMBL6590571

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

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1F O60840 11/20 0.82
CACNA1D Q01668 11/20 0.82
CACNA1S Q13698 11/20 0.82
CACNA1C Q13936 11/20 0.82
ADORA3 P0DMS8 1/20 0.82
CYP1A2 P05177 4/20 0.76
CYP3A4 P08684 4/20 0.76
CYP2C9 P11712 4/20 0.76
CYP2C19 P33261 4/20 0.76
HIF1A Q16665 3/20 0.76
MEN1 O00255 3/20 0.76
KMT2A Q03164 3/20 0.76
MAPT P10636 2/20 0.76
LMNA P02545 2/20 0.76
CYP2D6 P10635 2/20 0.76
TSHR P16473 2/20 0.76
NFKB1 P19838 2/20 0.76
THPO P40225 2/20 0.76
POLB P06746 1/20 0.76
MAPK1 P28482 1/20 0.76

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
SCHEMBL9511812 0.96 HIF1A (0.83) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL7473659 0.96 HIF1A (0.83) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL7273976 0.96 HIF1A (0.83) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL9808343 0.96 HIF1A (0.83) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL9511761 0.95 CACNA1F (0.74) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL7416581 0.92 CACNA1F (0.69) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL10694127 0.92 CACNA1F (0.85) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL7433675 0.91 CACNA1F (0.83) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL7379644 0.91 CACNA1F (0.83) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL7277311 0.91 HIF1A (0.74) 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 26 patents — showing the first 20. 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
US-6689799-B1 NON-NUCLEOSIDE-DERIVATIVE VIRICIDES REPHARTOX (NL) 2004-02-10 US disclosed
EP-1214315-B9 1,4-DIHYDROPYRIDINE-5-CARBOXYLIC ACID ESTER DERIVATIVES AND METHOD FOR THE PREPARATION THEREOF REPHARTOX (NL) 2004-01-02 EP disclosed
EP-1214315-B1 1,4-DIHYDROPYRIDINE-5-CARBOXYLIC ACID ESTER DERIVATIVES AND METHOD FOR THE PREPARATION THEREOF REPHARTOX (NL) 2003-05-02 EP disclosed
EP-1214315-A1 1,4-DIHYDROPYRIDINE-5-CARBOXYLIC ACID ESTER DERIVATIVES AND METHOD FOR THE PREPARATION THEREOF Rephartox (NL) 2002-06-19 EP disclosed
WO-2001014370-A1 1,4-DIHYDROPYRIDINE-5-CARBOXYLIC ACID ESTER DERIVATIVES AND METHOD FOR THE PREPARATION THEREOF REPHARTOX (NL) 2001-03-01 WO disclosed
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
EP-0255075-B1 2-(ACYLTHIO)METHYL DIHYDROPYRIDINES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1992-09-30 EP 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
EP-0383320-A1 A process for preparation of enantiomerically pure polysubstituted 1,4-dihydropyridines BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1990-08-22 EP disclosed
US-4935433-A 2-(acylthio)methyl dihydropyridines, and pharmaceutical compositions containing them BOEHRINGER MANNHEIM ITALIA, S.P.A. (IT) 1990-06-19 US disclosed
US-4918087-A 2-thiomethyl-substituted-pyridine and -3,5-dicarboxylates having anti-hypertensive activity BOEHRINGER BIOCHEMIA ROBIN S.P.A. (IT) 1990-04-17 US disclosed
US-4839348-A HYPOTENSIVE AGENTS; ANTICOAGULANTS, ANTIISCHEMIC AGENTS BOEHRINGER BIOCHEMIA ROBIN S.P.A. (IT) 1989-06-13 US disclosed
EP-0292981-A2 2-Selenomethyl-1, 4-dihydropyridines, a process for the preparation thereof and pharmaceutical compositions containing them BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1988-11-30 EP disclosed
EP-0255075-A1 2-(acylthio)methyl dihydropyridines, a process for their preparation and pharmaceutical compositions containing them BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1988-02-03 EP disclosed
EP-0233228-A1 PHARMACEUTICALLY ACTIVE 2-THIOMETHYL-SUBSTITUTED-1,4-DIHYDROPYRIDINES BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1987-08-26 EP disclosed
EP-0212340-A1 2-(heteroalkyl)-1,4-dihydropyridines, process for their preparations and pharmaceutical compositions containing them BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1987-03-04 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