SCHEMBL6260918

SCHEMBL6260918

NC(=O)Oc1ccc(OCCN2CCOCC2)c2ccccc12

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.64
CNR2 P34972 1/20 0.64
POLB P06746 1/20 0.56
KDM4E B2RXH2 2/20 0.55
MAOB P27338 1/20 0.54
MAPK14 Q16539 10/20 0.53
MAPK13 O15264 1/20 0.53
MAPK12 P53778 1/20 0.53
MAPK11 Q15759 1/20 0.53
DDR2 Q16832 1/20 0.52
TDP1 Q9NUW8 1/20 0.50
TSHR P16473 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL3989280 0.88 POLB (0.63) CNR1CNR2POLBKDM4EMAOB
SCHEMBL2788543 0.86 CNR1 (0.72) CNR1CNR2POLBKDM4EMAOB
SCHEMBL4953382 0.84 CNR1 (0.69) CNR1CNR2POLBKDM4EMAOB
SCHEMBL30009966 0.84 MAPK14 (0.66) CNR1CNR2MAPK14MAPK13MAPK12
SCHEMBL4566793 0.84 MAPK14 (0.66) CNR1CNR2MAPK14MAPK13MAPK12
SCHEMBL5809276 0.84 CNR1 (0.60) CNR1CNR2POLBKDM4EMAOB
SCHEMBL1600232 0.82 CNR1 (0.58) CNR1CNR2POLBKDM4EMAOB
SCHEMBL370543 0.82 CNR1 (0.59) CNR1CNR2POLBKDM4EMAOB
SCHEMBL1600013 0.81 CNR1 (0.58) CNR1CNR2POLBKDM4EMAOB
SCHEMBL1600264 0.81 CNR1 (0.64) CNR1CNR2POLBKDM4EMAOB

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-2005044825-A1 SILICON COMPOUNDS AND THEIR USE AMEDIS PHARMACEUTICALS LTD. (GB) 2005-05-19 WO disclosed