SCHEMBL4553358

SCHEMBL4553358

CC(C)(C)OC(=O)N1CCC(C2CCNCC2)C[C@@H]1c1cc(-n2cncn2)ncn1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 17/20 0.41
PIK3CD O00329 1/20 0.33
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL4555485 0.83 GPR119 (0.39) GPR119
SCHEMBL4555155 0.81 GPR119 (0.50) GPR119
SCHEMBL4553746 0.81 GPR119 (0.38) GPR119NPC1RAB9A
SCHEMBL4555034 0.80 GPR119 (0.51) GPR119
SCHEMBL4554044 0.77 GPR119 (0.50) GPR119NPC1
SCHEMBL4555415 0.75 GPR119 (0.39) GPR119
SCHEMBL3486529 0.75 GPR119 (0.66) GPR119
SCHEMBL4554610 0.74 GPR119 (0.38) GPR119
SCHEMBL4555039 0.71 GPR119 (0.48) GPR119
SCHEMBL4555036 0.69 GPR119 (0.37) 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