SCHEMBL10367252

SCHEMBL10367252

COC(=O)OC1=C(C)NC(C)=C(c2nc(CN3CCCCC3)no2)C1c1ccc(Cl)c(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1F O60840 6/20 0.38
CACNA1D Q01668 6/20 0.38
CACNA1S Q13698 6/20 0.38
CACNA1C Q13936 6/20 0.38
KCNH2 Q12809 1/20 0.37
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
SIGMAR1 Q99720 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TSHR P16473 1/20 0.33
MLLT1 Q03111 1/20 0.32
HRH3 Q9Y5N1 2/20 0.32

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
SCHEMBL7313818 0.88 ADRA2A (0.45) CACNA1FCACNA1DCACNA1SCACNA1CKCNH2
SCHEMBL10367338 0.88 ADORA3 (0.34) CACNA1FCACNA1DCACNA1SCACNA1CKCNH2
SCHEMBL10366138 0.85 CACNA1F (0.41) CACNA1FCACNA1DCACNA1SCACNA1CKCNH2
SCHEMBL10368511 0.84 ABCB1 (0.46) CACNA1FCACNA1DCACNA1SCACNA1CKCNH2
SCHEMBL7270521 0.79 KMT2A (0.35) CACNA1FCACNA1DCACNA1SCACNA1CADRA2A
SCHEMBL7319281 0.75 ADORA3 (0.47) CACNA1FCACNA1DCACNA1SCACNA1CKCNH2
SCHEMBL7264445 0.73 CACNA1F (0.41) CACNA1FCACNA1DCACNA1SCACNA1CKMT2A
SCHEMBL7265549 0.73 CACNA1F (0.44) CACNA1FCACNA1DCACNA1SCACNA1CALDH1A1
SCHEMBL10367146 0.73 MEN1 (0.37) CACNA1FCACNA1DCACNA1SCACNA1CKCNH2
SCHEMBL10368764 0.73 KCNH2 (0.40) CACNA1CKCNH2ADRA2AADRA1AKMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0177965-B1 NOVEL OXA- AND THIADIAZOLYL DERIVATIVES AND THEIR USE SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1990-03-21 EP claimed