SCHEMBL4729115

SCHEMBL4729115

Cc1cnc(NC(=O)C2(C)C(C)(C)C2(C)C)cc1CN1CCOCC1

nearest known ligand 0.78

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 18/20 0.78
CNR1 P21554 8/20 0.75
PDCD1 Q15116 1/20 0.45
CD274 Q9NZQ7 1/20 0.45

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
SCHEMBL4729181 0.89 CNR2 (0.68) CNR2CNR1PDCD1CD274
SCHEMBL4733628 0.88 CNR2 (1.00) CNR2CNR1PDCD1CD274
SCHEMBL4732987 0.86 CNR2 (1.00) CNR2CNR1PDCD1CD274
SCHEMBL4732527 0.86 CNR2 (1.00) CNR2CNR1PDCD1CD274
SCHEMBL4729957 0.85 CNR2 (0.60) CNR2CNR1PDCD1CD274
SCHEMBL4732451 0.85 CNR2 (1.00) CNR2CNR1PDCD1CD274
SCHEMBL4732019 0.83 CNR2 (0.70) CNR2CNR1PDCD1CD274
SCHEMBL14206966 0.83 CNR2 (1.00) CNR2CNR1PDCD1CD274
SCHEMBL4733910 0.81 CNR2 (0.76) CNR2CNR1PDCD1CD274
SCHEMBL4730790 0.81 CNR2 (0.82) CNR2CNR1PDCD1CD274

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 claimed
WO-2008063625-A2 PYRIDINE COMPOUNDS AND METHODS OF THEIR USE ADOLOR CORPORATION (US) 2008-05-29 WO disclosed