SCHEMBL4734563

SCHEMBL4734563

CCC(C)(C)C(=O)Nc1cc(CC#N)c(Br)cn1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 11/20 0.54
CNR1 P21554 3/20 0.51
RIPK1 Q13546 1/20 0.38
BRD4 O60885 1/20 0.34
MAP3K5 Q99683 2/20 0.33
AR P10275 2/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
THRB P10828 1/20 0.32
HTT P42858 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL4731505 0.86 CNR2 (0.59) CNR2CNR1BRD4LMNAPOLB
SCHEMBL14206334 0.85 CNR2 (0.52) CNR2CNR1BRD4ARLMNA
SCHEMBL14206662 0.85 CNR2 (0.56) CNR2CNR1RIPK1BRD4MAP3K5
SCHEMBL4731510 0.85 CNR2 (0.55) CNR2CNR1RIPK1BRD4MAP3K5
SCHEMBL14206637 0.84 CNR2 (0.54) CNR2CNR1RIPK1BRD4MAP3K5
SCHEMBL4733925 0.81 CNR2 (0.51) CNR2CNR1RIPK1BRD4MAP3K5
SCHEMBL4731889 0.79 CNR2 (0.56) CNR2CNR1RIPK1BRD4LMNA
SCHEMBL4731207 0.77 CNR2 (0.64) CNR2CNR1BRD4
SCHEMBL4729964 0.76 CNR2 (0.82) CNR2CNR1
SCHEMBL4734972 0.76 CNR2 (0.62) CNR2CNR1RIPK1BRD4

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