SCHEMBL4730386

SCHEMBL4730386

CCC(CC)(CC)C(=O)Nc1cc(CN2CCOCC2)c(OC)cn1

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 16/20 0.66
CNR1 P21554 5/20 0.66
PDCD1 Q15116 1/20 0.46
CD274 Q9NZQ7 1/20 0.46
CHEK1 O14757 1/20 0.44
F2 P00734 1/20 0.44
F10 P00742 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
SCHEMBL4732901 0.92 CNR2 (0.79) CNR2CNR1PDCD1CD274CHEK1
SCHEMBL4734332 0.92 CNR2 (0.63) CNR2CNR1
SCHEMBL4732937 0.91 CNR2 (0.68) CNR2CNR1PDCD1CD274CHEK1
SCHEMBL4730787 0.87 CNR2 (0.82) CNR2CNR1PDCD1CD274
SCHEMBL4730790 0.86 CNR2 (0.82) CNR2CNR1PDCD1CD274
SCHEMBL4732273 0.86 CNR2 (0.61) CNR2CNR1PDCD1CD274CHEK1
SCHEMBL4729643 0.84 CNR2 (0.77) CNR2CNR1
SCHEMBL4734178 0.82 CNR2 (0.65) CNR2CNR1
SCHEMBL4732648 0.82 CNR2 (0.76) CNR2CNR1PDCD1CD274CHEK1
SCHEMBL4734621 0.82 CNR2 (0.76) CNR2CNR1PDCD1CD274CHEK1

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