SCHEMBL7305002

SCHEMBL7305002

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

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.67
NR1I2 O75469 1/20 0.67
NR3C1 P04150 1/20 0.67
ABCB1 P08183 1/20 0.67
TBXA2R P21731 1/20 0.67
AGTR1 P30556 1/20 0.67
CCKBR P32239 1/20 0.67
PTGS2 P35354 1/20 0.67
PDE4D Q08499 1/20 0.67
SCN5A Q14524 1/20 0.67
SLC29A1 Q99808 1/20 0.67
CACNA1F O60840 9/20 0.57
CACNA1D Q01668 9/20 0.57
CACNA1S Q13698 9/20 0.57
CACNA1C Q13936 9/20 0.57
CACNA1B Q00975 1/20 0.56
PDE1C Q14123 1/20 0.55
HIF1A Q16665 3/20 0.53
MAPT P10636 3/20 0.53
MEN1 O00255 2/20 0.53

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
SCHEMBL7305006 1.00 ADORA3 (0.67) ADORA3NR1I2NR3C1ABCB1TBXA2R
SCHEMBL7300791 0.92 ADORA3 (0.81) ADORA3NR1I2NR3C1ABCB1TBXA2R
SCHEMBL7300796 0.92 ADORA3 (0.81) ADORA3NR1I2NR3C1ABCB1TBXA2R
SCHEMBL7380464 0.90 CACNA1F (0.72) ADORA3NR1I2NR3C1ABCB1TBXA2R
Hydrochloric Acid SCHEMBL11180647 0.89 CACNA1F (0.71) ADORA3NR1I2NR3C1ABCB1TBXA2R
SCHEMBL3940339 0.88 CACNA1F (0.71) ADORA3CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL3032197 0.88 CACNA1F (0.71) ADORA3CACNA1FCACNA1DCACNA1SCACNA1C
Hydrochloric Acid SCHEMBL9805027 0.87 CACNA1F (0.70) ADORA3CACNA1FCACNA1DCACNA1SCACNA1C
Hydrochloric Acid SCHEMBL9374052 0.87 CACNA1F (0.70) ADORA3CACNA1FCACNA1DCACNA1SCACNA1C
Hydrochloric Acid SCHEMBL9374064 0.87 CACNA1F (0.70) ADORA3CACNA1FCACNA1DCACNA1SCACNA1C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101068546-A Pharmaceutical composition, process for producing the same, and method for stabilizing dihydropyridine compound in pharmaceutical composition EISAI R&D MAN CO LTD (JP) 2007-11-07 CN disclosed
EP-0747357-B1 Dihydropyridine NPY antagonists: piperidine derivatives BRISTOL MYERS SQUIBB CO (US) 2002-01-09 EP disclosed
US-5668151-A USEFUL AS ANOREXIGENIC AGENTS IN PROMOTING WEIGHT LOSS AND TREATING EATING DISORDERS BRISTOL-MYERS SQUIBB COMPANY (US) 1997-09-16 US disclosed
US-5635503-A TREATMENT OF EATING DISORDERS, PROMOTING WEIGHT LOSS BRISTOL-MYERS SQUIBB COMPANY (US) 1997-06-03 US disclosed
EP-0747356-A1 Dihydropyridine NPY antagonists: piperazine derivatives BRISTOL-MYERS SQUIBB COMPANY (US) 1996-12-11 EP disclosed
EP-0747378-A1 Dihydropyridine NPY antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 1996-12-11 EP disclosed
EP-0747357-A2 Dihydropyridine NPY antagonists: piperidine derivatives BRISTOL-MYERS SQUIBB COMPANY (US) 1996-12-11 EP disclosed
US-5554621-A Dihydropyridine NPY antagonists: nitrogen heterocyclic derivatives BRISTOL-MYERS SQUIBB COMPANY (US) 1996-09-10 US disclosed
EP-0447812-B1 Use of a dihydropyridine to improve the inner ear blood circulation FUJISAWA PHARMACEUTICAL CO (JP) 1996-01-10 EP disclosed
US-5258393-A Vasodilation FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-11-02 US disclosed
EP-0296553-B1 PHARMACEUTICAL COMPOSITION FOR PERCUTANEOUS DRUG ABSORPTION AND PERCUTANEOUS DRUG ABSORPTION PROMOTER FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-04-14 EP disclosed
US-5160734-A Complex with polyoxyethylene-polyoxypropylene copolymer AMERICAN CYANAMID COMPANY (US) 1992-11-03 US disclosed
EP-0317780-B1 SUSTAINED (CONTROLLED) RELEASE DELIVERY SYSTEM FOR SUBSTITUTED DIHYDROPYRIDINE CALCIUM CHANNEL BLOCKERS AMERICAN CYANAMID COMPANY (US) 1992-05-20 EP disclosed
EP-0447812-A2 Use of a dihydropyridine to improve the inner ear blood circulation FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-09-25 EP disclosed
EP-0317780-A1 Sustained (controlled) release delivery system for substituted dihydropyridine calcium channel blockers AMERICAN CYANAMID COMPANY (US) 1989-05-31 EP disclosed
EP-0296553-A2 Pharmaceutical composition for percutaneous drug absorption and percutaneous drug absorption promoter FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-12-28 EP disclosed
US-4525478-A Certain 4-aryl-1,4-dihydro-3,5-pyridinedicarboxylates having vasodilating and anti-hypertensive properties FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1985-06-25 US disclosed
US-4370334-A VASODILATION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-01-25 US disclosed
US-4338322-A 1,4-Dihydropyridine derivatives, pharmaceutical compositions containing same and methods of effecting vasodilation using same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1982-07-06 US disclosed
US-4284634-A HYPOTENSIVE VASODILATORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-08-18 US disclosed