SCHEMBL4732598

SCHEMBL4732598

CCC(C)(C)C(=O)Nc1cc(CN2CCOCC2)c2ccccc2n1

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 11/20 0.65
CNR1 P21554 3/20 0.65
MOK Q9UQ07 9/20 0.56

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
SCHEMBL4729660 0.84 MOK (0.53) CNR2CNR1MOK
Hydrochloric Acid SCHEMBL4730661 0.84 MOK (0.52) CNR2CNR1MOK
SCHEMBL4731606 0.82 CNR2 (0.70) CNR2CNR1
SCHEMBL4734854 0.81 CNR2 (0.73) CNR2CNR1MOK
SCHEMBL4731593 0.81 CNR2 (0.64) CNR2CNR1
SCHEMBL4732510 0.80 CNR2 (0.68) CNR2CNR1
SCHEMBL4729964 0.80 CNR2 (0.82) CNR2CNR1
SCHEMBL4732946 0.79 CNR2 (1.00) CNR2CNR1
SCHEMBL4732146 0.79 CNR2 (0.66) CNR2CNR1
SCHEMBL4730475 0.79 CNR2 (0.66) 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