SCHEMBL4554617

SCHEMBL4554617

COc1ncc(F)c([C@H]2CC(C3CCNCC3)CCN2C(=O)OC(C)(C)C)n1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 11/20 0.35
ALK Q9UM73 2/20 0.33
ROCK2 O75116 1/20 0.32
USP30 Q70CQ3 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
MAPK14 Q16539 1/20 0.32
LMNA P02545 1/20 0.31
TSHR P16473 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
SCHEMBL4555415 0.75 GPR119 (0.39) GPR119LMNATSHR
SCHEMBL4554044 0.75 GPR119 (0.50) GPR119USP30
SCHEMBL4555146 0.75 DPP4 (0.32)
SCHEMBL4554681 0.75 L3MBTL3 (0.32)
SCHEMBL4554610 0.74 GPR119 (0.38) GPR119
SCHEMBL4555036 0.73 GPR119 (0.37) GPR119USP30
SCHEMBL4555039 0.73 GPR119 (0.48) GPR119
SCHEMBL4555034 0.72 GPR119 (0.51) GPR119USP30
SCHEMBL4555485 0.72 GPR119 (0.39) GPR119USP30LMNATSHR
SCHEMBL5280717 0.71 PDE4B (0.39) GPR119ROCK2

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