SCHEMBL7375672

SCHEMBL7375672

CCOC(=O)C1=C(C#N)NC(C)=C(C(=O)O)C1c1ccccc1C(F)(F)F

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CACNA1F O60840 1/20 0.54
CACNA1D Q01668 1/20 0.54
CACNA1S Q13698 1/20 0.54
CACNA1C Q13936 1/20 0.54

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 SCHEMBL7374125 0.99 CACNA1F (0.53) CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL7374069 0.95 CACNA1F (0.60) CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL7379621 0.89 CACNA1C (0.59) CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL9765702 0.89 CACNA1C (0.66) CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL7381384 0.85 ADORA3 (0.46) CACNA1C
SCHEMBL7431826 0.84 CACNA1C (0.71) CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL7380278 0.84
Hydrochloric Acid SCHEMBL7380766 0.84 ADORA3 (0.46) CACNA1C
SCHEMBL7379516 0.83 CACNA1C (0.54) CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL7273146 0.83 CACNA1C (0.62) CACNA1C

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