SCHEMBL4732273

SCHEMBL4732273

COc1cnc(NC(=O)C(C)(C(F)(F)F)C(F)(F)F)cc1CN1CCOCC1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 16/20 0.61
CNR1 P21554 7/20 0.61
PDCD1 Q15116 1/20 0.45
CD274 Q9NZQ7 1/20 0.45
KCNJ1 P48048 1/20 0.43
CHEK1 O14757 1/20 0.43
F2 P00734 1/20 0.42
F10 P00742 1/20 0.42

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
SCHEMBL4733421 0.91 CNR2 (0.60) CNR2CNR1
SCHEMBL4734756 0.89 CNR2 (0.58) CNR2CNR1
SCHEMBL4732901 0.88 CNR2 (0.79) CNR2CNR1PDCD1CD274CHEK1
SCHEMBL4732937 0.87 CNR2 (0.68) CNR2CNR1PDCD1CD274CHEK1
SCHEMBL4780813 0.87 CNR2 (0.80) CNR2CNR1
SCHEMBL4729958 0.87 CNR2 (0.77) CNR2CNR1
SCHEMBL4730386 0.86 CNR2 (0.66) CNR2CNR1PDCD1CD274CHEK1
SCHEMBL4729643 0.81 CNR2 (0.77) CNR2CNR1
SCHEMBL4730841 0.80 CNR2 (0.53) CNR2CNR1PDCD1CD274CHEK1
SCHEMBL4734178 0.79 CNR2 (0.65) 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 disclosed