SCHEMBL8302877

SCHEMBL8302877

CNCCCN1C(=O)NC(C)=C(C(=O)OC(C)C)C1c1cccc(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1F O60840 5/20 0.47
CACNA1D Q01668 5/20 0.47
CACNA1S Q13698 5/20 0.47
CACNA1C Q13936 5/20 0.47
ADRA1D P25100 2/20 0.46
ADRA1A P35348 2/20 0.46
ADRA1B P35368 2/20 0.46
XBP1 P17861 1/20 0.44
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
ALOX12 P18054 1/20 0.41

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
SCHEMBL8295869 0.83 ADRA1D (0.44) ADRA1DADRA1AADRA1BTSHR
SCHEMBL5568254 0.80 XBP1 (0.40) CACNA1FCACNA1DCACNA1SCACNA1CADRA1D
SCHEMBL8303326 0.79 CACNA1F (0.45) CACNA1FCACNA1DCACNA1SCACNA1CADRA1D
SCHEMBL14600510 0.79 CACNA1F (0.46) CACNA1FCACNA1DCACNA1SCACNA1CXBP1
SCHEMBL8303461 0.78 CACNA1F (0.45) CACNA1FCACNA1DCACNA1SCACNA1CXBP1
SCHEMBL20328325 0.78 CACNA1F (0.40) CACNA1FCACNA1DCACNA1SCACNA1CADRA1D
SCHEMBL20328168 0.78 CACNA1F (0.40) CACNA1FCACNA1DCACNA1SCACNA1CADRA1D
SCHEMBL5568116 0.77 CACNA1F (0.40) CACNA1FCACNA1DCACNA1SCACNA1CADRA1D
SCHEMBL6471949 0.74 MAPT (0.46) CACNA1FCACNA1DCACNA1SCACNA1CADRA1D
SCHEMBL20328142 0.73 CACNA1F (0.36) CACNA1FCACNA1DCACNA1SCACNA1CADRA1D

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