SCHEMBL4433800

SCHEMBL4433800

CC(C)(C)OC(=O)N1CCC(C2CCNCC2)C[C@@H]1c1ccc(S(=O)(=O)C(F)(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 5/20 0.41
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NR1H2 P55055 3/20 0.38
NR1H3 Q13133 3/20 0.38
EPHX2 P34913 1/20 0.38
SCN7A Q01118 1/20 0.36
KCNH2 Q12809 1/20 0.36
SCN9A Q15858 1/20 0.36
HSD11B1 P28845 2/20 0.36
CCR5 P51681 2/20 0.35
F13A1 P00488 1/20 0.34
TGM2 P21980 1/20 0.34
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34

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
SCHEMBL4554614 0.89 GPR119 (0.53) GPR119NR1H2NR1H3
SCHEMBL4555039 0.84 GPR119 (0.48) GPR119NR1H2NR1H3CCR5JAK2
SCHEMBL4553607 0.83 GPR119 (0.44) GPR119NR1H2NR1H3CCR5JAK2
SCHEMBL4555411 0.82 GPR119 (0.52) GPR119NR1H2NR1H3
SCHEMBL5280717 0.77 PDE4B (0.39) GPR119HSD11B1
SCHEMBL4555155 0.77 GPR119 (0.50) GPR119
SCHEMBL4555034 0.73 GPR119 (0.51) GPR119
SCHEMBL4555415 0.71 GPR119 (0.39) GPR119
SCHEMBL4555036 0.71 GPR119 (0.37) GPR119NR1H2NR1H3HSD11B1
SCHEMBL4554044 0.71 GPR119 (0.50) GPR119

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
EP-2121661-A1 BIPIPERIDINYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT Merck & Co., Inc. (US) 2009-11-25 EP disclosed
WO-2008085316-A1 BIPIPERIDINYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK & CO., INC. (US) 2008-07-17 WO disclosed