SCHEMBL6497801

SCHEMBL6497801

NC(=O)c1ccccc1-c1nc2ccccc2n(CCN2CCOCC2)c1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.53
CASP1 P29466 1/20 0.53
CASP7 P55210 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
LMNA P02545 2/20 0.51
CNR2 P34972 5/20 0.48
MAPT P10636 2/20 0.48
KDM4E B2RXH2 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
CNR1 P21554 4/20 0.46
PYGM P11217 1/20 0.46
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
GAA P10253 2/20 0.46
MEN1 O00255 1/20 0.46
USP2 O75604 1/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL6529824 0.77 LMNA (0.62) HSD17B10CASP1CASP7L3MBTL1LMNA
SCHEMBL6529612 0.77 CASP1 (0.60) HSD17B10CASP1CASP7L3MBTL1LMNA
SCHEMBL5551592 0.75 LMNA (0.62) HSD17B10CASP1CASP7L3MBTL1LMNA
SCHEMBL6503393 0.74 HSD17B10 (0.62) HSD17B10CASP1CASP7L3MBTL1LMNA
SCHEMBL6504646 0.73 HSD17B10 (0.58) HSD17B10CASP1CASP7L3MBTL1LMNA
SCHEMBL6505956 0.72 PYGM (0.56) HSD17B10CASP1CASP7L3MBTL1LMNA
SCHEMBL6529548 0.72 HSD17B10 (0.54) HSD17B10CASP1CASP7L3MBTL1LMNA
SCHEMBL3599686 0.72 LMNA (0.68) HSD17B10CASP1CASP7L3MBTL1LMNA
SCHEMBL6529413 0.72 LMNA (0.58) HSD17B10CASP1CASP7L3MBTL1LMNA
SCHEMBL6497804 0.72 KDM4E (0.64) HSD17B10CASP1CASP7L3MBTL1LMNA

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
WO-2005021547-A2 HETEROCYCLIC CANNABINOID CB2 RECEPTOR ANTAGONISTS PHARMAXIS PTY LTD. (AU) 2005-03-10 WO claimed
WO-2005021547-A3 HETEROCYCLIC CANNABINOID CB2 RECEPTOR ANTAGONISTS PHARMAXIS PTY LTD (AU) 2005-08-18 WO disclosed
WO-2005021547-A2 HETEROCYCLIC CANNABINOID CB2 RECEPTOR ANTAGONISTS PHARMAXIS PTY LTD. (AU) 2005-03-10 WO disclosed