SCHEMBL4783898

SCHEMBL4783898

CCC(C)(C)C(=O)Nc1cc(O)c(C)c(C)n1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 15/20 0.46
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
CNR1 P21554 8/20 0.40
L3MBTL1 Q9Y468 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
THRB P10828 1/20 0.36
HTT P42858 1/20 0.36
BRD4 O60885 1/20 0.36

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
SCHEMBL4730468 0.81 CNR2 (0.43) CNR2LMNAPOLBCNR1L3MBTL1
SCHEMBL4733265 0.78 CNR2 (0.46) CNR2LMNAPOLBCNR1L3MBTL1
SCHEMBL14206939 0.78 CNR2 (0.46) CNR2LMNAPOLBCNR1L3MBTL1
SCHEMBL4733945 0.78 CNR2 (0.43) CNR2LMNAPOLBCNR1L3MBTL1
SCHEMBL14207113 0.78 CNR2 (0.41) CNR2LMNAPOLBCNR1NPC1
SCHEMBL14207102 0.77 CNR2 (0.44) CNR2LMNAPOLBCNR1L3MBTL1
SCHEMBL4735161 0.77 RAB9A (0.46) CNR2LMNAPOLBCNR1L3MBTL1
SCHEMBL4734015 0.76 CNR2 (0.57) CNR2LMNACNR1NPC1RAB9A
SCHEMBL4732528 0.75 CNR2 (0.39) CNR2LMNAPOLBCNR1L3MBTL1
SCHEMBL4732956 0.75 LMNA (0.40) CNR2LMNAPOLBCNR1L3MBTL1

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 disclosed
WO-2008063625-A2 PYRIDINE COMPOUNDS AND METHODS OF THEIR USE ADOLOR CORPORATION (US) 2008-05-29 WO disclosed