SCHEMBL4733335

SCHEMBL4733335

CCC(C)(C)C(=O)Nc1cc(C)cc(CN2CCOCC2)n1

nearest known ligand 0.70

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 18/20 0.70
CNR1 P21554 6/20 0.62
LMNA P02545 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
SCHEMBL14207123 0.83 CNR2 (0.78) CNR2CNR1
SCHEMBL4731720 0.82 CNR2 (0.74) CNR2CNR1
SCHEMBL4732509 0.82 CNR2 (1.00) CNR2CNR1
SCHEMBL4731606 0.81 CNR2 (0.70) CNR2CNR1
SCHEMBL4733815 0.81 CNR2 (0.72) CNR2CNR1
SCHEMBL14207107 0.81 CNR2 (0.72) CNR2CNR1
SCHEMBL4732510 0.80 CNR2 (0.68) CNR2CNR1
SCHEMBL4732873 0.79 CNR2 (1.00) CNR2CNR1
SCHEMBL4730475 0.78 CNR2 (0.66) CNR2CNR1
SCHEMBL4734243 0.78 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