SCHEMBL10366138

SCHEMBL10366138

CC1=C(C(=O)O)C(c2ccc(Cl)c(Cl)c2)C(c2nc(CN3CCCCC3)no2)=C(C)N1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CACNA1F O60840 6/20 0.41
CACNA1D Q01668 6/20 0.41
CACNA1S Q13698 6/20 0.41
CACNA1C Q13936 6/20 0.41
KCNH2 Q12809 1/20 0.38
SIGMAR1 Q99720 1/20 0.37
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
ADRA1D P25100 1/20 0.37
ADRA1A P35348 1/20 0.37
ADRA1B P35368 1/20 0.37
HRH3 Q9Y5N1 3/20 0.35
MLLT1 Q03111 1/20 0.35
DHODH Q02127 1/20 0.34
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CACNA1B Q00975 1/20 0.33

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 0.91 ADRA2A (0.45) CACNA1FCACNA1DCACNA1SCACNA1CKCNH2
SCHEMBL10367146 0.87 MEN1 (0.37) CACNA1FCACNA1DCACNA1SCACNA1CKCNH2
SCHEMBL10367252 0.85 CACNA1F (0.38) CACNA1FCACNA1DCACNA1SCACNA1CKCNH2
SCHEMBL10368228 0.83 ABCB1 (0.48) CACNA1FCACNA1DCACNA1SCACNA1CKCNH2
SCHEMBL10368230 0.83 ABCB1 (0.48) CACNA1FCACNA1DCACNA1SCACNA1CKCNH2
SCHEMBL7319281 0.79 ADORA3 (0.47) CACNA1FCACNA1DCACNA1SCACNA1CKCNH2
SCHEMBL7315909 0.74 ABCB1 (0.57) CACNA1CKCNH2SIGMAR1ADRA2AADRA2B
SCHEMBL10367338 0.73 ADORA3 (0.34) CACNA1FCACNA1DCACNA1SCACNA1CKCNH2
SCHEMBL10992175 0.73 CYP3A4 (0.42) CACNA1FCACNA1DCACNA1SCACNA1CPOLB
SCHEMBL10366377 0.71 DRD3 (0.46) CACNA1CKCNH2ADRA2AADRA1APOLB

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