SCHEMBL7380464

SCHEMBL7380464

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

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1F O60840 10/20 0.72
CACNA1D Q01668 10/20 0.72
CACNA1S Q13698 10/20 0.72
CACNA1C Q13936 10/20 0.72
ADORA3 P0DMS8 2/20 0.72
HIF1A Q16665 3/20 0.67
MEN1 O00255 2/20 0.67
CYP1A2 P05177 2/20 0.67
CYP3A4 P08684 2/20 0.67
CYP2C9 P11712 2/20 0.67
CYP2C19 P33261 2/20 0.67
KMT2A Q03164 2/20 0.67
MAPT P10636 2/20 0.67
LMNA P02545 1/20 0.67
POLB P06746 1/20 0.67
MAPK1 P28482 1/20 0.67
GPR55 Q9Y2T6 1/20 0.67
CYP2D6 P10635 1/20 0.67
TSHR P16473 1/20 0.67
NFKB1 P19838 1/20 0.67

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
Hydrochloric Acid SCHEMBL11180647 0.99 CACNA1F (0.71) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL7378579 0.95 CACNA1F (0.80) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL7300791 0.90 ADORA3 (0.81) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL7300796 0.90 ADORA3 (0.81) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL7305002 0.90 ADORA3 (0.67) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL7305006 0.90 ADORA3 (0.67) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL7380324 0.89 CACNA1F (0.75) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL7415057 0.89 CACNA1F (0.91) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL7266660 0.89 CACNA1F (0.91) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
Hydrochloric Acid SCHEMBL7291005 0.88 CACNA1F (0.89) 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 6 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-4393070-A HYPOTENSIVE, VASODILATION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-07-12 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-4307103-A TREATMENT OF HYPERTENSION AND CARDIOVASCULAR DISEASE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-12-22 US disclosed
US-4284634-A HYPOTENSIVE VASODILATORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-08-18 US disclosed