SCHEMBL4730787

SCHEMBL4730787

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

nearest known ligand 0.82

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 18/20 0.82
CNR1 P21554 7/20 0.82
PDCD1 Q15116 1/20 0.42
CD274 Q9NZQ7 1/20 0.42
HIF1A Q16665 1/20 0.41
EPAS1 Q99814 1/20 0.41

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
SCHEMBL4732946 0.90 CNR2 (1.00) CNR2CNR1
SCHEMBL4730790 0.90 CNR2 (0.82) CNR2CNR1PDCD1CD274
SCHEMBL4730075 0.90 CNR2 (0.84) CNR2CNR1PDCD1CD274
SCHEMBL4734332 0.87 CNR2 (0.63) CNR2CNR1
SCHEMBL4730386 0.87 CNR2 (0.66) CNR2CNR1PDCD1CD274
SCHEMBL4732935 0.86 CNR2 (0.77) CNR2CNR1PDCD1CD274
SCHEMBL4729958 0.86 CNR2 (0.77) CNR2CNR1HIF1AEPAS1
SCHEMBL4729181 0.82 CNR2 (0.68) CNR2CNR1PDCD1CD274HIF1A
SCHEMBL4733425 0.81 CNR2 (0.67) CNR2CNR1PDCD1CD274
SCHEMBL4730649 0.80 CNR2 (1.00) 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 1 patent. 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