SCHEMBL4734332

SCHEMBL4734332

CCOc1cnc(NC(=O)C(CC)(CC)CC)cc1CN1CCOCC1

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 16/20 0.63
CNR1 P21554 5/20 0.63
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
GAA P10253 1/20 0.43
TSHR P16473 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
SCHEMBL4730386 0.92 CNR2 (0.66) CNR2CNR1
SCHEMBL4734178 0.91 CNR2 (0.65) CNR2CNR1LMNAMAPTGAA
SCHEMBL4729643 0.91 CNR2 (0.77) CNR2CNR1LMNAMAPTGAA
SCHEMBL4730787 0.87 CNR2 (0.82) CNR2CNR1
SCHEMBL4733421 0.87 CNR2 (0.60) CNR2CNR1LMNAMAPTGAA
SCHEMBL4735443 0.87 CNR2 (0.60) CNR2CNR1LMNAMAPTGAA
SCHEMBL4730790 0.86 CNR2 (0.82) CNR2CNR1
SCHEMBL4729957 0.83 CNR2 (0.60) CNR2CNR1LMNAMAPTTSHR
SCHEMBL4732901 0.83 CNR2 (0.79) CNR2CNR1
SCHEMBL4729646 0.82 CNR2 (0.54) CNR2CNR1LMNAMAPTTSHR

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