SCHEMBL8303326

SCHEMBL8303326

COC(=O)c1cccc(CN2C(=O)NC(C)=C(C(=O)OC(C)C)C2c2cccc(Cl)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1F O60840 5/20 0.45
CACNA1D Q01668 5/20 0.45
CACNA1S Q13698 5/20 0.45
CACNA1C Q13936 5/20 0.45
XBP1 P17861 1/20 0.45
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
PYGL P06737 1/20 0.41
PYGM P11217 1/20 0.41
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
ALOX12 P18054 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CACNA1B Q00975 1/20 0.39

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
SCHEMBL8303461 0.92 CACNA1F (0.45) CACNA1FCACNA1DCACNA1SCACNA1CXBP1
SCHEMBL8302915 0.83 PYGL (0.40) CACNA1FCACNA1DCACNA1SCACNA1CXBP1
SCHEMBL8302877 0.79 CACNA1F (0.47) CACNA1FCACNA1DCACNA1SCACNA1CXBP1
SCHEMBL14600510 0.77 CACNA1F (0.46) CACNA1FCACNA1DCACNA1SCACNA1CXBP1
SCHEMBL5568254 0.72 XBP1 (0.40) CACNA1FCACNA1DCACNA1SCACNA1CXBP1
SCHEMBL5568983 0.71 HTT (0.40) CACNA1FCACNA1DCACNA1SCACNA1CLMNA
SCHEMBL20328325 0.71 CACNA1F (0.40) CACNA1FCACNA1DCACNA1SCACNA1CXBP1
SCHEMBL7426307 0.71 NR1I2 (0.51) CACNA1FCACNA1DCACNA1SCACNA1CMAPT
SCHEMBL8303348 0.71 MGLL (0.45) CACNA1FCACNA1DCACNA1SCACNA1CXBP1
SCHEMBL5568116 0.70 CACNA1F (0.40) CACNA1FCACNA1DCACNA1SCACNA1CXBP1

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