SCHEMBL10359264

SCHEMBL10359264

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

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CACNA1C Q13936 3/20 0.50
CACNA1F O60840 2/20 0.50
CACNA1D Q01668 2/20 0.50
CACNA1S Q13698 2/20 0.50
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL10359259 0.90 CACNA1C (0.43) CACNA1CCACNA1FCACNA1DCACNA1S
SCHEMBL9474870 0.77 CACNA1C (0.65) CACNA1CCACNA1FCACNA1DCACNA1SHTT
SCHEMBL7384493 0.77 CACNA1C (0.65) CACNA1CCACNA1FCACNA1DCACNA1SHTT
SCHEMBL9475776 0.74 CACNA1F (0.54) CACNA1CCACNA1FCACNA1DCACNA1SHTT
SCHEMBL7265838 0.72 CACNA1F (0.54) CACNA1CCACNA1FCACNA1DCACNA1SHTT
SCHEMBL10359332 0.71 CACNA1F (0.46) CACNA1CCACNA1FCACNA1DCACNA1SL3MBTL1
SCHEMBL9476150 0.70 CACNA1C (0.53) CACNA1CCACNA1FCACNA1DCACNA1S
SCHEMBL10913257 0.70 CACNA1F (0.51) CACNA1CCACNA1FCACNA1DCACNA1SL3MBTL1
SCHEMBL9870929 0.70 CACNA1F (0.40) CACNA1CCACNA1FCACNA1DCACNA1S
SCHEMBL7265684 0.69 CACNA1C (0.51) 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