SCHEMBL8339907

SCHEMBL8339907

Cc1cnc(C(=O)NC(CC2CCCCC2)C(N)=O)cn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 12/20 0.54
CNR1 P21554 1/20 0.50
LONP1 P36776 2/20 0.48
PSMB11 A5LHX3 1/20 0.48
PSMA7 O14818 1/20 0.48
PSMB1 P20618 1/20 0.48
PSMA1 P25786 1/20 0.48
PSMA2 P25787 1/20 0.48
PSMA3 P25788 1/20 0.48
PSMA4 P25789 1/20 0.48
PSMB8 P28062 1/20 0.48
PSMB9 P28065 1/20 0.48
PSMA5 P28066 1/20 0.48
PSMB4 P28070 1/20 0.48
PSMB6 P28072 1/20 0.48
PSMB5 P28074 1/20 0.48
PSMB10 P40306 1/20 0.48
PSMB3 P49720 1/20 0.48
PSMB2 P49721 1/20 0.48
PSMA6 P60900 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
SCHEMBL8334677 0.83 LONP1 (0.63) CNR2CNR1LONP1PSMB11PSMA7
SCHEMBL8338450 0.76 LMNA (0.55) CNR2CNR1MAPK11MAPK14
SCHEMBL8338299 0.74 SMYD3 (0.47) CNR2CNR1MAPK11MAPK14
SCHEMBL8339627 0.74 MAPK11 (0.44) CNR2CNR1MAPK11MAPK14
SCHEMBL8337500 0.73 CTSK (0.53) CNR2CNR1MAPK11MAPK14
SCHEMBL8337093 0.73 CYP1A2 (0.48) CNR2CNR1MAPK11MAPK14
SCHEMBL8338430 0.72 CNR2 (0.48) CNR2CNR1MAPK11MAPK14
SCHEMBL8339320 0.72 CNR2 (0.44) CNR2CNR1MAPK11MAPK14
SCHEMBL8337739 0.72 LMNA (0.54) CNR2MAPK11MAPK14
SCHEMBL13735669 0.72 MMP1 (0.47) CNR2CNR1MAPK11MAPK14

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-2004017911-A2 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-03-04 WO disclosed