SCHEMBL4554044

SCHEMBL4554044

CC(C)(C)OC(=O)N1CCC(C2CCNCC2)C[C@@H]1c1cnccn1

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 14/20 0.50
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
USP30 Q70CQ3 1/20 0.33

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 0.86 GPR119 (0.39) GPR119ALDH1A1
SCHEMBL4554610 0.85 GPR119 (0.38) GPR119ALDH1A1
SCHEMBL4555034 0.85 GPR119 (0.51) GPR119USP30
SCHEMBL28412863 0.81 GPR119 (0.45) GPR119
SCHEMBL29757596 0.81 GPR119 (0.45) GPR119
SCHEMBL30403961 0.80 GPR119 (0.51) GPR119NPC1ALDH1A1USP30
SCHEMBL4555485 0.80 GPR119 (0.39) GPR119ALDH1A1USP30
SCHEMBL29989420 0.79 GPR119 (0.50) GPR119NPC1ALDH1A1
SCHEMBL4553746 0.79 GPR119 (0.38) GPR119NPC1USP30
SCHEMBL4555039 0.78 GPR119 (0.48) 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