SCHEMBL8303348

SCHEMBL8303348

CC1=C(C(=O)OC(C)C)C(c2cccc(Cl)c2)N(CC2CCN(C(=O)c3ccc(Oc4ccccc4)cc3)CC2)C(=O)N1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.45
PARP14 Q460N5 2/20 0.40
PARP10 Q53GL7 2/20 0.40
CACNA1F O60840 2/20 0.39
CACNA1D Q01668 2/20 0.39
CACNA1S Q13698 2/20 0.39
CACNA1C Q13936 2/20 0.39
HTT P42858 1/20 0.39
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
CCR8 P51685 1/20 0.38
KCNH2 Q12809 1/20 0.38
MAPT P10636 1/20 0.38
PDE1C Q14123 1/20 0.37
XBP1 P17861 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 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
SCHEMBL14600510 0.82 CACNA1F (0.46) CACNA1FCACNA1DCACNA1SCACNA1CXBP1
SCHEMBL20328325 0.79 CACNA1F (0.40) CACNA1FCACNA1DCACNA1SCACNA1CHTT
SCHEMBL20328168 0.76 CACNA1F (0.40) CACNA1FCACNA1DCACNA1SCACNA1CHTT
SCHEMBL5568116 0.73 CACNA1F (0.40) CACNA1FCACNA1DCACNA1SCACNA1CHTT
SCHEMBL8303461 0.73 CACNA1F (0.45) CACNA1FCACNA1DCACNA1SCACNA1CXBP1
SCHEMBL8302877 0.71 CACNA1F (0.47) CACNA1FCACNA1DCACNA1SCACNA1CHTT
SCHEMBL8303326 0.71 CACNA1F (0.45) CACNA1FCACNA1DCACNA1SCACNA1CADRA1D
SCHEMBL20328142 0.70 CACNA1F (0.36) CACNA1FCACNA1DCACNA1SCACNA1CHTT
SCHEMBL5569504 0.69 ADRA1D (0.46) ADRA1DADRA1AADRA1BMMP2
SCHEMBL5568028 0.68 HTT (0.40) CACNA1FCACNA1DCACNA1SCACNA1CHTT

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