SCHEMBL7380324

SCHEMBL7380324

CCOCCOC(=O)C1=C(C)NC(C#N)=C(C(=O)OCC)C1c1cccc([N+](=O)[O-])c1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1F O60840 11/20 0.75
CACNA1D Q01668 11/20 0.75
CACNA1S Q13698 11/20 0.75
CACNA1C Q13936 11/20 0.75
ADORA3 P0DMS8 2/20 0.70
MEN1 O00255 4/20 0.66
CYP1A2 P05177 4/20 0.66
CYP3A4 P08684 4/20 0.66
CYP2C9 P11712 4/20 0.66
CYP2C19 P33261 4/20 0.66
KMT2A Q03164 4/20 0.66
HIF1A Q16665 3/20 0.66
MAPT P10636 3/20 0.66
LMNA P02545 3/20 0.66
CYP2D6 P10635 2/20 0.66
TSHR P16473 2/20 0.66
NFKB1 P19838 2/20 0.66
THPO P40225 2/20 0.66
POLB P06746 1/20 0.66
MAPK1 P28482 1/20 0.66

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
SCHEMBL7378579 0.94 CACNA1F (0.80) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL7377859 0.92 CACNA1C (0.68) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL11688627 0.90 CACNA1F (0.90) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL7380464 0.89 CACNA1F (0.72) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL7379212 0.89 CACNA1C (0.69) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
Hydrochloric Acid SCHEMBL11180647 0.88 CACNA1F (0.71) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL7379893 0.85 CACNA1F (0.78) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL11829739 0.85 CACNA1F (0.88) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL7382041 0.85 CACNA1C (0.77) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL7380294 0.84 CACNA1C (0.76) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-4145432-A 6-ACYLORYALKYL-1,4-DIHYDROPYRIDINE DERIVATIVES AND A METHOD OF EFFECTING VASODILATION THEREWITH FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1979-03-20 US disclosed