SCHEMBL7313818

SCHEMBL7313818

COC(=O)C1=C(C)NC(C)=C(c2nc(CN3CCCCC3)no2)C1c1ccc(Cl)c(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.45
ADRA2B P18089 2/20 0.45
ADRA2C P18825 2/20 0.45
ADRA1D P25100 2/20 0.45
ADRA1A P35348 2/20 0.45
ADRA1B P35368 2/20 0.45
CACNA1F O60840 5/20 0.45
CACNA1D Q01668 5/20 0.45
CACNA1S Q13698 5/20 0.45
CACNA1C Q13936 5/20 0.45
KMT2A Q03164 1/20 0.43
PDE1C Q14123 2/20 0.41
TSHR P16473 1/20 0.39
ABCB1 P08183 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KCNH2 Q12809 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38

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
SCHEMBL10366138 0.91 CACNA1F (0.41) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL10367252 0.88 CACNA1F (0.38) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL7319281 0.87 ADORA3 (0.47) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL7315909 0.83 ABCB1 (0.57) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL10367146 0.78 MEN1 (0.37) CACNA1FCACNA1DCACNA1SCACNA1CKMT2A
SCHEMBL10992175 0.78 CYP3A4 (0.42) CACNA1FCACNA1DCACNA1SCACNA1CKMT2A
SCHEMBL10367338 0.75 ADORA3 (0.34) CACNA1FCACNA1DCACNA1SCACNA1CKMT2A
SCHEMBL10368230 0.74 ABCB1 (0.48) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL10368228 0.74 ABCB1 (0.48) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL7317593 0.73 ABCB1 (0.51) ADRA2AADRA2BADRA2CADRA1DADRA1A

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
EP-0177965-B1 NOVEL OXA- AND THIADIAZOLYL DERIVATIVES AND THEIR USE SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1990-03-21 EP claimed
US-4705786-A Novel oxadiazolyl-1,4-dihydropyridines useful as antihypertensive agents SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1987-11-10 US claimed
EP-0177965-A2 Novel oxa- and thiadiazolyl derivatives and their use SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1986-04-16 EP claimed