SCHEMBL5809276

SCHEMBL5809276

NC(=O)Cc1ccc(OCCN2CCOCC2)c2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.60
CNR2 P34972 1/20 0.60
POLB P06746 1/20 0.53
MAPK14 Q16539 10/20 0.52
KDM4E B2RXH2 2/20 0.52
DRD1 P21728 1/20 0.52
DRD4 P21917 1/20 0.52
DRD5 P21918 1/20 0.52
MAOB P27338 1/20 0.51
MAPK13 O15264 1/20 0.51
MAPK12 P53778 1/20 0.51
MAPK11 Q15759 1/20 0.51
DDR2 Q16832 1/20 0.49
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL1600507 0.89 CNR1 (0.61) CNR1CNR2POLBMAPK14KDM4E
SCHEMBL12705468 0.86 CNR1 (0.58) CNR1CNR2POLBMAPK14KDM4E
SCHEMBL1600234 0.86 MAPK14 (0.59) CNR1CNR2POLBMAPK14KDM4E
SCHEMBL6260918 0.84 CNR1 (0.64) CNR1CNR2POLBMAPK14KDM4E
SCHEMBL2788546 0.84 CNR1 (0.57) CNR1CNR2POLBMAPK14KDM4E
SCHEMBL2788543 0.83 CNR1 (0.72) CNR1CNR2POLBMAPK14KDM4E
SCHEMBL4566793 0.81 MAPK14 (0.66) CNR1CNR2MAPK14MAPK13MAPK12
SCHEMBL30009966 0.81 MAPK14 (0.66) CNR1CNR2MAPK14MAPK13MAPK12
SCHEMBL4953382 0.81 CNR1 (0.69) CNR1CNR2POLBMAPK14KDM4E
SCHEMBL5805878 0.81 POLB (0.46) CNR1CNR2POLBKDM4EDRD1

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-2006091862-A2 CYTOKINE INHIBITORS AND THEIR USE IN THERAPY KEMIA, INC. (US) 2006-08-31 WO disclosed