SCHEMBL4733910

SCHEMBL4733910

Cc1cnc(NC(=O)NC(C)(C)C)cc1CN1CCOCC1

nearest known ligand 0.76

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 18/20 0.76
CNR1 P21554 7/20 0.72
EPHX2 P34913 1/20 0.45
PDCD1 Q15116 1/20 0.44
CD274 Q9NZQ7 1/20 0.44

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
SCHEMBL14206966 0.86 CNR2 (1.00) CNR2CNR1PDCD1CD274
SCHEMBL4734539 0.83 CNR2 (0.84) CNR2CNR1PDCD1CD274
SCHEMBL4730649 0.83 CNR2 (1.00) CNR2CNR1
SCHEMBL4729137 0.83 CNR2 (0.80) CNR2CNR1
SCHEMBL4780813 0.83 CNR2 (0.80) CNR2CNR1
SCHEMBL4730790 0.82 CNR2 (0.82) CNR2CNR1PDCD1CD274
SCHEMBL4733416 0.82 CNR2 (1.00) CNR2CNR1
SCHEMBL4785883 0.81 CNR2 (0.79) CNR2CNR1PDCD1CD274
SCHEMBL4729115 0.81 CNR2 (0.78) CNR2CNR1PDCD1CD274
SCHEMBL4733803 0.80 CNR2 (0.92) 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