SCHEMBL6529413

SCHEMBL6529413

CCOC(=O)c1nc2ccccc2n(CCN2CCOCC2)c1=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.58
ALDH1A1 P00352 4/20 0.57
GAA P10253 2/20 0.57
KDM4E B2RXH2 2/20 0.57
HPGD P15428 1/20 0.57
L3MBTL1 Q9Y468 2/20 0.56
CASP1 P29466 2/20 0.56
CASP7 P55210 2/20 0.56
HSD17B10 Q99714 1/20 0.56
OGFRL1 Q5TC84 4/20 0.52
OPRM1 P35372 3/20 0.52
OPRK1 P41145 3/20 0.52
OPRD1 P41143 2/20 0.52
TSHR P16473 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
TP53 P04637 1/20 0.49
MAPT P10636 1/20 0.49
NPSR1 Q6W5P4 1/20 0.48

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
SCHEMBL6529612 0.84 CASP1 (0.60) LMNAALDH1A1GAAKDM4EHPGD
SCHEMBL2783456 0.79 MAPK1 (0.56) ALDH1A1KDM4ECASP1CASP7HSD17B10
SCHEMBL3012671 0.78 MAPK1 (0.55) LMNAALDH1A1KDM4EHPGDCASP1
SCHEMBL2783058 0.78 OGFRL1 (0.56) ALDH1A1GAAKDM4ECASP1CASP7
SCHEMBL6581741 0.78 CASP1 (0.57) LMNAALDH1A1GAAKDM4EHPGD
SCHEMBL29847379 0.78 CASP1 (0.57) LMNAALDH1A1GAAKDM4EHPGD
SCHEMBL6505956 0.77 PYGM (0.56) LMNAALDH1A1GAAKDM4EHPGD
SCHEMBL6503393 0.77 HSD17B10 (0.62) LMNAALDH1A1GAAKDM4EHPGD
SCHEMBL2783060 0.77 ALDH1A1 (0.54) ALDH1A1KDM4ECASP1CASP7HSD17B10
SCHEMBL6529824 0.76 LMNA (0.62) LMNAALDH1A1GAAKDM4EL3MBTL1

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
WO-2005021547-A2 HETEROCYCLIC CANNABINOID CB2 RECEPTOR ANTAGONISTS PHARMAXIS PTY LTD. (AU) 2005-03-10 WO disclosed