SCHEMBL8302915

SCHEMBL8302915

CC1=C(C(=O)OC(C)C)C(c2cccc(Cl)c2)N(Cc2cccc(C(=O)N(C)CCCc3ccccc3)c2)C(=O)N1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PYGL P06737 1/20 0.40
PYGM P11217 1/20 0.40
CACNA1F O60840 4/20 0.39
CACNA1D Q01668 4/20 0.39
CACNA1S Q13698 4/20 0.39
CACNA1C Q13936 4/20 0.39
CACNA1B Q00975 3/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
HTT P42858 1/20 0.37
XBP1 P17861 1/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36

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
SCHEMBL5568983 0.90 HTT (0.40) CACNA1FCACNA1DCACNA1SCACNA1CCACNA1B
SCHEMBL8303461 0.86 CACNA1F (0.45) PYGLPYGMCACNA1FCACNA1DCACNA1S
SCHEMBL8303326 0.83 CACNA1F (0.45) PYGLPYGMCACNA1FCACNA1DCACNA1S
SCHEMBL20328325 0.81 CACNA1F (0.40) CACNA1FCACNA1DCACNA1SCACNA1CCACNA1B
SCHEMBL5568116 0.80 CACNA1F (0.40) CACNA1FCACNA1DCACNA1SCACNA1CCACNA1B
SCHEMBL5562887 0.74 HTT (0.43) CACNA1FCACNA1DCACNA1SCACNA1CCACNA1B
SCHEMBL20328142 0.74 CACNA1F (0.36) CACNA1FCACNA1DCACNA1SCACNA1CLMNA
SCHEMBL5568254 0.73 XBP1 (0.40) CACNA1FCACNA1DCACNA1SCACNA1CCACNA1B
SCHEMBL5563096 0.73 HTT (0.39) CACNA1FCACNA1DCACNA1SCACNA1CCACNA1B
SCHEMBL8302877 0.73 CACNA1F (0.47) CACNA1FCACNA1DCACNA1SCACNA1CLMNA

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
US-7166603-B2 Dihydropyrimidone inhibitors of calcium channel function BRISTOL-MYERS SQUIBB CO. (US) 2007-01-23 US disclosed
US-7166603-B2 Dihydropyrimidone inhibitors of calcium channel function BRISTOL-MYERS SQUIBB CO. (US) 2007-01-23 US disclosed
WO-2005009392-A2 DIHYDROPYRIMIDONE INHIBITORS OF CALCIUM CHANNEL FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2005-02-03 WO disclosed