SCHEMBL10359259

SCHEMBL10359259

CC1=C(C(=O)O)C(c2ccccc2C(F)(F)F)N(CCCCN(C)C)C(=O)N1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CACNA1C Q13936 3/20 0.43
CACNA1F O60840 2/20 0.43
CACNA1D Q01668 2/20 0.43
CACNA1S Q13698 2/20 0.43
TP53 P04637 1/20 0.37

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
SCHEMBL10359264 0.90 CACNA1C (0.50) CACNA1CCACNA1FCACNA1DCACNA1S
SCHEMBL9476150 0.76 CACNA1C (0.53) CACNA1CCACNA1FCACNA1DCACNA1STP53
SCHEMBL7265684 0.74 CACNA1C (0.51) CACNA1CCACNA1FCACNA1DCACNA1STP53
SCHEMBL9477546 0.73 CACNA1C (0.44) CACNA1CCACNA1FCACNA1DCACNA1STP53
SCHEMBL7266717 0.71 CACNA1C (0.44) CACNA1CCACNA1FCACNA1DCACNA1STP53
SCHEMBL7384493 0.70 CACNA1C (0.65) CACNA1CCACNA1FCACNA1DCACNA1STP53
SCHEMBL9474870 0.70 CACNA1C (0.65) CACNA1CCACNA1FCACNA1DCACNA1STP53
SCHEMBL10640720 0.70 CACNA1C (0.44) CACNA1CCACNA1FCACNA1DCACNA1STP53
SCHEMBL9672747 0.69 CACNA1C (0.58) CACNA1CCACNA1FCACNA1DCACNA1S
SCHEMBL10913731 0.69 CACNA1F (0.43) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0236902-B1 1,2,3,4-TETRAHYDRO-6-SUBSTITUTED-4-ARYL(OR HETEROCYCLO)-3-SUBSTITUTED-2-THIOXO (OR OXO)-5-PYRIMIDINECARBOXYLIC ACIDS AND ESTERS E.R. Squibb & Sons, Inc. (US) 1990-12-05 EP disclosed
EP-0236902-A1 1,2,3,4-tetrahydro-6-substituted-4-aryl(or heterocyclo)-3-substituted-2-thioxo (or oxo)-5-pyrimidinecarboxylic acids and esters E.R. Squibb & Sons, Inc. (US) 1987-09-16 EP disclosed
US-4684655-A 1,2,3,4-tetrahydro-6-substituted-4-aryl-3-substituted-2-thioxo(or oxo)-5-pyrimidinecarboxylic acids and esters and use thereof to lower blood pressure E. R. SQUIBB & SONS, INC. (US) 1987-08-04 US disclosed