SCHEMBL4555155

SCHEMBL4555155

CC(C)(C)OC(=O)N1CCC(C2CCNCC2)C[C@@H]1c1ccc(-n2cncn2)cc1

nearest known ligand 0.50

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 17/20 0.50
KDM4D Q6B0I6 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
SCHEMBL4553358 0.81 GPR119 (0.41) GPR119
SCHEMBL4555039 0.81 GPR119 (0.48) GPR119
SCHEMBL4555411 0.80 GPR119 (0.52) GPR119
SCHEMBL4554614 0.79 GPR119 (0.53) GPR119
SCHEMBL4433800 0.77 GPR119 (0.41) GPR119
SCHEMBL4553607 0.77 GPR119 (0.44) GPR119
SCHEMBL4555034 0.76 GPR119 (0.51) GPR119
SCHEMBL3486102 0.75 GPR119 (0.69) GPR119
SCHEMBL5280717 0.75 PDE4B (0.39) GPR119
SCHEMBL4554044 0.73 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