SCHEMBL4153906

SCHEMBL4153906

Cc1nccc(C2CCCCC2)c1C(N)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 1/20 0.40
MAPT P10636 2/20 0.39
KDM4E B2RXH2 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
PTGDR2 Q9Y5Y4 2/20 0.38
CAMKK2 Q96RR4 1/20 0.37
HRH4 Q9H3N8 2/20 0.37
CDC7 O00311 1/20 0.36
IDO1 P14902 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
GSK3B P49841 2/20 0.36
KDM5A P29375 1/20 0.35
KDM5B Q9UGL1 1/20 0.35
GLA P06280 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HIF1A Q16665 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL9207129 0.83 MAPT (0.40) MAPTKDM4EKMT2AMEN1PTGDR2
SCHEMBL9207313 0.83 MAPT (0.40) MAPTKDM4EKMT2AMEN1PTGDR2
SCHEMBL7511256 0.81 MAPT (0.41) MAPTKDM4EKMT2AMEN1PTGDR2
SCHEMBL3094958 0.81 HRH4 (0.39) MAPTKDM4EKMT2AMEN1PTGDR2
SCHEMBL17251279 0.78 HCRTR1 (0.43) SCN10AMAPTKDM4EKMT2AMEN1
SCHEMBL3081865 0.77 HRH4 (0.37) PTGDR2HRH4CDC7
SCHEMBL4153902 0.76 SCN10A (0.38) SCN10AMAPTKDM4EKMT2AMEN1
SCHEMBL9206473 0.74 CNR1 (0.36) KDM4ECAMKK2HRH4IDO1CNR1
SCHEMBL29289787 0.74 MAPT (0.40) MAPTKDM4EKMT2AMEN1PTGDR2
SCHEMBL17250826 0.74 IDO1 (0.42) KDM4EKMT2AMEN1IDO1SMN1; SMN2

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-2009082346-A1 NEW ACETYL COENZYME A CARBOXYLASE (ACC) INHIBITORS AND USES IN TREATMENTS OF OBESITY AND DIABETES MELLITUS - 087 ASTRAZENECA AB (SE) 2009-07-02 WO disclosed