SCHEMBL4733925

SCHEMBL4733925

CCC(C)(C)C(=O)Nc1cc(CP(=O)(O)O)c(Br)cn1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 10/20 0.51
CNR1 P21554 3/20 0.51
RIPK1 Q13546 1/20 0.38
MAP3K5 Q99683 5/20 0.37
BRD4 O60885 1/20 0.34
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
PGK1 P00558 1/20 0.32
PGK2 P07205 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
SCHEMBL4731510 0.85 CNR2 (0.55) CNR2CNR1RIPK1MAP3K5BRD4
SCHEMBL14206637 0.84 CNR2 (0.54) CNR2CNR1RIPK1MAP3K5BRD4
SCHEMBL14206662 0.82 CNR2 (0.56) CNR2CNR1RIPK1MAP3K5BRD4
SCHEMBL4734563 0.81 CNR2 (0.54) CNR2CNR1RIPK1MAP3K5BRD4
SCHEMBL4731889 0.79 CNR2 (0.56) CNR2CNR1RIPK1BRD4LMNA
SCHEMBL4731207 0.77 CNR2 (0.64) CNR2CNR1BRD4
SCHEMBL14206962 0.77 CNR2 (0.45) CNR2CNR1RIPK1MAP3K5BRD4
SCHEMBL4729964 0.76 CNR2 (0.82) CNR2CNR1
SCHEMBL4734972 0.76 CNR2 (0.62) CNR2CNR1RIPK1BRD4
SCHEMBL4731049 0.75 CNR2 (0.61) 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