SCHEMBL4733265

SCHEMBL4733265

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

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 14/20 0.46
CNR1 P21554 7/20 0.42
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
RIPK1 Q13546 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
THRB P10828 1/20 0.35
HTT P42858 1/20 0.35
BRD4 O60885 1/20 0.35

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
SCHEMBL4731872 0.86 CNR2 (0.45) CNR2CNR1LMNAPOLBRIPK1
SCHEMBL14207108 0.85 CNR2 (0.44) CNR2CNR1LMNAPOLBRIPK1
SCHEMBL4733945 0.85 CNR2 (0.43) CNR2CNR1LMNAPOLBRIPK1
SCHEMBL14206941 0.84 CNR2 (0.42) CNR2CNR1LMNAPOLBRIPK1
SCHEMBL14206939 0.83 CNR2 (0.46) CNR2CNR1LMNAPOLBL3MBTL1
SCHEMBL4731808 0.78 RAB9A (0.51) CNR2LMNARIPK1NPC1RAB9A
SCHEMBL4783898 0.78 CNR2 (0.46) CNR2CNR1LMNAPOLBL3MBTL1
SCHEMBL4731889 0.77 CNR2 (0.56) CNR2CNR1LMNAPOLBRIPK1
SCHEMBL7026237 0.77 ALDH1A1 (0.46) LMNAL3MBTL1NPC1RAB9AALDH1A1
SCHEMBL4733815 0.76 CNR2 (0.72) 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 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