SCHEMBL4729181

SCHEMBL4729181

CCc1cnc(NC(=O)C2(C)C(C)(C)C2(C)C)cc1CN1CCOCC1

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 14/20 0.68
CNR1 P21554 5/20 0.68
PDCD1 Q15116 2/20 0.42
CD274 Q9NZQ7 2/20 0.42
HIF1A Q16665 1/20 0.41
EPAS1 Q99814 1/20 0.41
TSHR P16473 1/20 0.40
MOK Q9UQ07 1/20 0.39

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
SCHEMBL4729115 0.89 CNR2 (0.78) CNR2CNR1PDCD1CD274
SCHEMBL4729957 0.87 CNR2 (0.60) CNR2CNR1PDCD1CD274TSHR
SCHEMBL4732972 0.87 CNR2 (0.82) CNR2CNR1PDCD1CD274HIF1A
SCHEMBL4733250 0.87 CNR2 (0.82) CNR2CNR1PDCD1CD274HIF1A
SCHEMBL4732822 0.86 CNR2 (0.83) CNR2CNR1PDCD1CD274HIF1A
SCHEMBL4733425 0.83 CNR2 (0.67) CNR2CNR1PDCD1CD274
SCHEMBL4730787 0.82 CNR2 (0.82) CNR2CNR1PDCD1CD274HIF1A
SCHEMBL4732946 0.81 CNR2 (1.00) CNR2CNR1
SCHEMBL4730075 0.81 CNR2 (0.84) CNR2CNR1PDCD1CD274
SCHEMBL4732935 0.79 CNR2 (0.77) 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 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