SCHEMBL4733826

SCHEMBL4733826

CC(C)(C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)c2c(n1)CCC2)C1CC1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 13/20 0.49
CNR1 P21554 9/20 0.49
MEN1 O00255 2/20 0.44
POLB P06746 2/20 0.44
RECQL P46063 2/20 0.44
KMT2A Q03164 2/20 0.44
MCL1 Q07820 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
BLM P54132 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
GAA P10253 1/20 0.42
ALDH1A1 P00352 2/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 2/20 0.41

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
SCHEMBL4730721 0.86 CNR2 (0.67) CNR2CNR1MEN1POLBRECQL
SCHEMBL4782358 0.82 CNR2 (0.52) CNR2CNR1ALDH1A1
SCHEMBL4731997 0.80 CNR2 (0.52) CNR2CNR1ALDH1A1
SCHEMBL14206432 0.73 ACHE (0.42) MEN1POLBKMT2AGAAALDH1A1
SCHEMBL14207385 0.70 CNR2 (0.38) CNR2CNR1ALDH1A1NPC1RAB9A
SCHEMBL4782740 0.68 CNR2 (0.65) CNR2CNR1
SCHEMBL4733274 0.67 CNR2 (0.69) CNR2CNR1
SCHEMBL4732146 0.67 CNR2 (0.66) CNR2CNR1
SCHEMBL4735445 0.66 CNR2 (0.53) CNR2CNR1
SCHEMBL4729561 0.65 CNR2 (0.62) CNR2CNR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008063625-A2 PYRIDINE COMPOUNDS AND METHODS OF THEIR USE ADOLOR CORPORATION (US) 2008-05-29 WO claimed
WO-2008063625-A2 PYRIDINE COMPOUNDS AND METHODS OF THEIR USE ADOLOR CORPORATION (US) 2008-05-29 WO disclosed