SCHEMBL47362

SCHEMBL47362

NCNC(=O)C1CCOC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLS O94925 1/20 0.40
HTR1A P08908 2/20 0.38
DRD2 P14416 2/20 0.38
DRD4 P21917 2/20 0.38
ACACB O00763 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MAPK10 P53779 3/20 0.35
PIP5K1C O60331 3/20 0.35
PIK3CA P42336 3/20 0.35
MAPK8 P45983 2/20 0.35
MAPK14 Q16539 2/20 0.35
PIP5K1B O14986 1/20 0.35
PIP5K1A Q99755 1/20 0.35
PSMB8 P28062 2/20 0.34
PSMB5 P28074 2/20 0.34
KMT2A Q03164 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
SCHEMBL47355 0.88 SMN1; SMN2 (0.41) HTR1ADRD2DRD4HDAC3HDAC1
SCHEMBL3663509 0.82 GLS (0.41) GLSHTR1ADRD2DRD4ACACB
SCHEMBL13702331 0.81 HTR1A (0.41) GLSHTR1ADRD2DRD4ACACB
SCHEMBL20928257 0.78 CHRNB2 (0.47) GLSHTR1ADRD2DRD4SMN1; SMN2
SCHEMBL19550635 0.78
SCHEMBL2828351 0.78
SCHEMBL19550602 0.78
SCHEMBL28361513 0.78 SMN1; SMN2 (0.45) GLSHTR1ADRD2DRD4ACACB
SCHEMBL7877130 0.77
SCHEMBL6313794 0.77 HTR1A (0.41) GLSHTR1ADRD2DRD4

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
EP-2582696-B1 5-ARYL ISOXAZOLINES FOR CONTROLLING PESTS NOVARTIS AG (CH) 2014-10-22 EP disclosed
WO-2011157748-A1 5-ARYL ISOXAZOLINES FOR CONTROLLING PESTS NOVARTIS AG (CH) 2011-12-22 WO disclosed