SCHEMBL4733207

SCHEMBL4733207

CCC(C)(C)C(=O)Nc1cc(CN2CCOCC2)c(-c2cccnc2)cn1

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 15/20 0.69
CNR1 P21554 4/20 0.69
GSK3B P49841 2/20 0.49
DYRK1A Q13627 2/20 0.49
NAMPT P43490 1/20 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
SCHEMBL4734854 0.92 CNR2 (0.73) CNR2CNR1
SCHEMBL14206965 0.91 CNR2 (0.72) CNR2CNR1
SCHEMBL4729995 0.85 CNR2 (0.69) CNR2CNR1
SCHEMBL4732946 0.82 CNR2 (1.00) CNR2CNR1
SCHEMBL4730649 0.81 CNR2 (1.00) CNR2CNR1
SCHEMBL4729964 0.81 CNR2 (0.82) CNR2CNR1
SCHEMBL14206427 0.81 CNR2 (0.80) CNR2CNR1
SCHEMBL4729604 0.81 CNR2 (1.00) CNR2CNR1
SCHEMBL4730516 0.80 CNR2 (0.76) CNR2CNR1
SCHEMBL4731520 0.80 CNR2 (0.79) 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 disclosed
WO-2008063625-A2 PYRIDINE COMPOUNDS AND METHODS OF THEIR USE ADOLOR CORPORATION (US) 2008-05-29 WO disclosed