SCHEMBL4730540

SCHEMBL4730540

CCC(CC)(CC)C(=O)Nc1cc(CN2CCCOCC2)c2c(n1)CCC2

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 18/20 0.51
CNR1 P21554 7/20 0.51
MOK Q9UQ07 1/20 0.37
ACHE P22303 1/20 0.37

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
SCHEMBL4735445 0.97 CNR2 (0.53) CNR2CNR1ACHE
SCHEMBL4729561 0.91 CNR2 (0.62) CNR2CNR1
SCHEMBL4732146 0.88 CNR2 (0.66) CNR2CNR1
SCHEMBL4735427 0.86 CNR2 (0.66) CNR2CNR1
SCHEMBL4733954 0.83 CNR2 (0.52) CNR2CNR1
SCHEMBL4732274 0.83 CNR2 (0.66) CNR2CNR1MOKACHE
SCHEMBL4730803 0.80 CNR2 (0.69) CNR2CNR1ACHE
SCHEMBL4731900 0.80 CNR2 (0.69) CNR2CNR1ACHE
SCHEMBL4733410 0.79 CNR2 (0.69) CNR2CNR1ACHE
SCHEMBL14207124 0.78 CNR2 (0.47) CNR2CNR1ACHE

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