SCHEMBL3940339

SCHEMBL3940339

CC1=C(C(=O)O)C(c2cccc([N+](=O)[O-])c2)C(C(=O)O)=C(C)N1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1F O60840 9/20 0.71
CACNA1D Q01668 9/20 0.71
CACNA1S Q13698 9/20 0.71
CACNA1C Q13936 9/20 0.71
ADORA3 P0DMS8 1/20 0.71
CACNA1B Q00975 1/20 0.68
PDE1C Q14123 1/20 0.67
MEN1 O00255 4/20 0.65
CYP1A2 P05177 4/20 0.65
CYP3A4 P08684 4/20 0.65
CYP2C9 P11712 4/20 0.65
CYP2C19 P33261 4/20 0.65
KMT2A Q03164 4/20 0.65
HIF1A Q16665 3/20 0.65
MAPT P10636 3/20 0.65
LMNA P02545 3/20 0.65
CYP2D6 P10635 2/20 0.65
TSHR P16473 2/20 0.65
NFKB1 P19838 2/20 0.65
THPO P40225 2/20 0.65

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
SCHEMBL3032197 1.00 CACNA1F (0.71) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
Hydrochloric Acid SCHEMBL9805019 0.99 CACNA1F (0.70) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
Hydrochloric Acid SCHEMBL9374052 0.99 CACNA1F (0.70) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
Hydrochloric Acid SCHEMBL9374064 0.99 CACNA1F (0.70) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
Hydrochloric Acid SCHEMBL9805027 0.99 CACNA1F (0.70) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
Oxalic Acid SCHEMBL9725491 0.97 CACNA1F (0.68) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL8883552 0.95 CACNA1F (0.65) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL30296731 0.95 CACNA1F (0.65) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL15463931 0.94 CACNA1F (0.64) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL15464038 0.94 CACNA1F (0.64) 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 75 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2703398-A1 1,4-DIHYDROPYRIDINE -3,5-DICARBOXYLATE DERIVATIVES, PREPARATION METHODS AND USES THEREOF Xuanzhu Pharma Co., Ltd. (CN) 2014-03-05 EP claimed
EP-1179345-B1 INHIBITORS AGAINST INCREASE IN OCULAR TENSION CAUSED BY IRRADIATION WITH LASERS, CONTAINING 1,4-DIHYDROPYRIDINE DERIVATIVES SENJU PHARMA CO (JP) 2009-04-08 EP claimed
EP-0968716-B1 DRUGS FOR AMELIORATING OCULAR CIRCULATORY DISORDERS SENJU PHARMA CO (JP) 2008-12-31 EP claimed
EP-1860102-B1 Process for Producing Lercanidipine CF PHARMA LTD (HU) 2008-11-26 EP claimed
EP-0824517-B1 A PROCESS FOR THE PREPARATION OF LERCANIDIPINE HYDROCHLORIDE RECORDATI CHEM PHARM (IT) 2002-07-24 EP claimed
EP-0463407-B1 Use of dihydropyridins in cardiotonic pharmaceutical compositions MITSUBISHI PHARMA CORP (JP) 2002-02-13 EP claimed
EP-0342577-B1 Use of dihydropyridine derivatives for the prophylaxis or treatment of cerebral circulation disorders YOSHITOMI PHARMACEUTICAL (JP) 2000-03-15 EP claimed
EP-0289746-B1 1,4-Dihydropyridine derivatives and pharmaceutical composition thereof KYOTO PHARMA IND (JP) 1994-10-19 EP claimed
EP-0176956-B1 Diaryl derivatives BYK GULDEN LOMBERG CHEM FAB (DE) 1994-06-15 EP claimed
EP-0063365-B2 1,4-Dihydropyridine derivative and pharmaceutical composition containing same KYOWA HAKKO KOGYO KK (JP) 1994-06-15 EP claimed
EP-0220917-B1 1,4-DIHYDROPYRIDINE PHARMACEUTICAL DERIVATIVES AND THEIR SALTS, AND THE PREPARATION THEREOF SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 1991-01-30 EP claimed
EP-0094159-B1 DIHYDROPYRIDINE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1990-03-14 EP claimed
EP-0194906-B1 HETEROCYCLIC DISSYMMETRIC 1,4-DIHYDROPYRIDINE-3,5-DICARBOXYLIC-ACID ESTERS, PROCESS FOR THEIR PREPARATION AND THEIR THERAPEUTICAL USE FOURNIER INNOVATION ET SYNERGIE (FR) 1989-07-19 EP claimed
US-4798840-A Coronary-active fluorine-containing 1,4-dihydropyridines BAYER AKTIENGESELLSCHAFT (DE) 1989-01-17 US claimed
US-4713387-A Vasodilating and platelet aggregation inhibiting 1,4 dihydropyridines with an imidazolyl or pyridyl containing ester TOYAMA CHEMICAL CO., LTD. (JP) 1987-12-15 US claimed
EP-0240398-A1 Dissymmetrical 1,4-dihydropyridine-3,5-dicarboxylic-acid derivatives, preparation processes and therapeutical use FOURNIER INNOVATION ET SYNERGIE (FR) 1987-10-07 EP claimed
EP-0194906-A2 Heterocyclic dissymmetric 1,4-dihydropyridine-3,5-dicarboxylic-acid esters, process for their preparation and their therapeutical use FOURNIER INNOVATION ET SYNERGIE (FR) 1986-09-17 EP claimed
EP-0063365-B1 1,4-DIHYDROPYRIDINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING SAME KYOWA HAKKO KOGYO CO., LTD. (JP) 1985-09-04 EP claimed
EP-0126094-A1 NEW 1,4-DIHYDROPYRIDINE ESTERS AND PREPARATION METHODS THEREOF AND DRUGS CONTAINING SAID ESTERS. CERMOL SA (CH) 1984-11-28 EP claimed
WO-1984002132-A1 NEW 1,4-DIHYDROPYRIDINE ESTERS AND PREPARATION METHODS THEREOF AND DRUGS CONTAINING SAID ESTERS CERMOL SA (CH) 1984-06-07 WO claimed