SCHEMBL4729133

SCHEMBL4729133

CCC(C)(C)C(=O)Nc1cc(CN2CCc3ccccc3C2)c(C)cn1

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 13/20 0.66
CNR1 P21554 4/20 0.66
LMNA P02545 3/20 0.44
HTT P42858 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
RIPK1 Q13546 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL4729994 0.93 CNR2 (0.69) CNR2CNR1LMNARIPK1
SCHEMBL4734575 0.83 CNR2 (0.78) CNR2CNR1
SCHEMBL4730792 0.82 CNR2 (0.82) CNR2CNR1
SCHEMBL4732966 0.81 CNR2 (0.80) CNR2CNR1
SCHEMBL4734554 0.81 CNR2 (0.80) CNR2CNR1
SCHEMBL14206657 0.80 CNR2 (0.77) CNR2CNR1LMNA
SCHEMBL4730649 0.80 CNR2 (1.00) CNR2CNR1
SCHEMBL4730074 0.80 CNR2 (0.77) CNR2CNR1
SCHEMBL14206964 0.79 CNR2 (0.76) CNR2CNR1
SCHEMBL4733600 0.79 CNR2 (0.76) 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 3 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
WO-2008063625-A2 PYRIDINE COMPOUNDS AND METHODS OF THEIR USE ADOLOR CORPORATION (US) 2008-05-29 WO disclosed