SCHEMBL6589196

SCHEMBL6589196

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

nearest known ligand 0.80

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CACNA1F O60840 1/20 0.60
CACNA1D Q01668 1/20 0.60
CACNA1S Q13698 1/20 0.60
CACNA1C Q13936 1/20 0.60

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
SCHEMBL7434494 0.91 CACNA1F (0.62) CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL7381359 0.90 CACNA1F (0.61) CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL11521180 0.90 CACNA1F (0.61) CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL7431826 0.90 CACNA1C (0.71) CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL11729940 0.89 CACNA1F (0.60) CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL10739765 0.85
SCHEMBL11732555 0.85 CACNA1F (0.60) CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL11688212 0.85 CACNA1C (0.63) CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL9765702 0.85 CACNA1C (0.66) CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL11869125 0.85 CACNA1C (0.66) CACNA1FCACNA1DCACNA1SCACNA1C

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-6689799-B1 NON-NUCLEOSIDE-DERIVATIVE VIRICIDES REPHARTOX (NL) 2004-02-10 US disclosed
EP-1214315-B9 1,4-DIHYDROPYRIDINE-5-CARBOXYLIC ACID ESTER DERIVATIVES AND METHOD FOR THE PREPARATION THEREOF REPHARTOX (NL) 2004-01-02 EP disclosed
EP-1214315-B1 1,4-DIHYDROPYRIDINE-5-CARBOXYLIC ACID ESTER DERIVATIVES AND METHOD FOR THE PREPARATION THEREOF REPHARTOX (NL) 2003-05-02 EP disclosed
EP-1214315-A1 1,4-DIHYDROPYRIDINE-5-CARBOXYLIC ACID ESTER DERIVATIVES AND METHOD FOR THE PREPARATION THEREOF Rephartox (NL) 2002-06-19 EP disclosed
WO-2001014370-A1 1,4-DIHYDROPYRIDINE-5-CARBOXYLIC ACID ESTER DERIVATIVES AND METHOD FOR THE PREPARATION THEREOF REPHARTOX (NL) 2001-03-01 WO disclosed