SCHEMBL9765702

SCHEMBL9765702

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

nearest known ligand 0.74

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CACNA1C Q13936 3/20 0.66
CACNA1F O60840 2/20 0.66
CACNA1D Q01668 2/20 0.66
CACNA1S Q13698 2/20 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
SCHEMBL7431826 0.95 CACNA1C (0.71) CACNA1CCACNA1FCACNA1DCACNA1S
SCHEMBL11869125 0.91 CACNA1C (0.66) CACNA1CCACNA1FCACNA1DCACNA1S
SCHEMBL7380278 0.90
SCHEMBL7375672 0.89 CACNA1F (0.54) CACNA1CCACNA1FCACNA1DCACNA1S
SCHEMBL7379516 0.89 CACNA1C (0.54) CACNA1CCACNA1FCACNA1DCACNA1S
SCHEMBL9672747 0.89 CACNA1C (0.58) CACNA1CCACNA1FCACNA1DCACNA1S
SCHEMBL10743484 0.88 CACNA1C (0.64) CACNA1CCACNA1FCACNA1DCACNA1S
SCHEMBL11781966 0.88 CACNA1C (0.67) CACNA1CCACNA1FCACNA1DCACNA1S
SCHEMBL10481007 0.88 CACNA1C (0.64) CACNA1CCACNA1FCACNA1DCACNA1S
Hydrochloric Acid SCHEMBL7374125 0.88 CACNA1F (0.53) CACNA1CCACNA1FCACNA1DCACNA1S

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-4285955-A CARDIOTONIC, HYPOTENSIVE, AND ANTISPASMOTIC AGENTS; VASODILATION BAYER AKTIENGESELLSCHAFT (DE) 1981-08-25 US claimed
US-4988717-A Optically active 1,4-dihydropyridine esters useful for treating circulatory illnesses BAYER AKTIENGESELLSCHAFT (DE) 1991-01-29 US disclosed
US-4931525-A Optical active (meth)acrylamides and polymers thereof for racemate resolution BAYER AKTIENGESELLSCHAFT (DE) 1990-06-05 US disclosed
US-4849433-A The compound, (⃡)1,4-dihydro-2,6-dimethyl-4-(2'-nitrophenyl)-pyridine-3,5-dicarboxylic acid, methyl isobutyl ester, compositions containing same and a method for effecting coronary dilation BAYER AKTIENGESELLSCHAFT (DE) 1989-07-18 US disclosed
US-4798840-A Coronary-active fluorine-containing 1,4-dihydropyridines BAYER AKTIENGESELLSCHAFT (DE) 1989-01-17 US disclosed
US-4510310-A 1,4-Dihydro-2,6-dimethyl-4-(2'-chlorophenyl)-3,5-dicarboxylic acid,methyl or ethyl,trifluoroethyl ester BAYER AKTIENGESELLSCHAFT (DE) 1985-04-09 US disclosed