SCHEMBL7424959

SCHEMBL7424959

O=C(O)c1coc(CN2CCCC2)n1.[KH]

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.57
ELANE P08246 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.42
GSK3B P49841 2/20 0.41
CACNA1G O43497 5/20 0.40
KCNH2 Q12809 2/20 0.39
P2RY2 P41231 1/20 0.38
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
HIF1A Q16665 1/20 0.37
HDAC6 Q9UBN7 1/20 0.36
GNE Q9Y223 1/20 0.36
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL7424821 0.98 HRH3 (0.59) HRH3ELANEL3MBTL1GSK3BCACNA1G
SCHEMBL3382832 0.97 HRH3 (0.61) HRH3ELANEL3MBTL1GSK3BCACNA1G
SCHEMBL3384305 0.86 HRH3 (0.62) HRH3GSK3BCACNA1GKCNH2CYP2C9
Potassium Ion SCHEMBL7424963 0.83 HRH3 (0.56) HRH3ELANEL3MBTL1GSK3BCACNA1G
Potassium Ion SCHEMBL7427991 0.83 HRH3 (0.56) HRH3ELANEL3MBTL1GSK3BCACNA1G
SCHEMBL7427115 0.81 HRH3 (0.57) HRH3ELANEGSK3BCACNA1GKCNH2
SCHEMBL7425000 0.80 DRD4 (0.51) HRH3CACNA1GKMT2A
SCHEMBL12965742 0.80 GSK3B (0.48) HRH3ELANEGSK3BCACNA1GKCNH2
SCHEMBL7421852 0.80 HRH3 (0.59) HRH3ELANEGSK3BCACNA1GKCNH2
SCHEMBL7423841 0.79 HRH3 (0.55) HRH3ELANECACNA1GKCNH2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2000053589-A1 PROCESS FOR PREPARING OXAZOLE DERIVATIVES GLAXO GROUP LIMITED (GB) 2000-09-14 WO claimed
WO-2000053589-A1 PROCESS FOR PREPARING OXAZOLE DERIVATIVES GLAXO GROUP LIMITED (GB) 2000-09-14 WO disclosed