SCHEMBL4555485

SCHEMBL4555485

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

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 10/20 0.39
GRM5 P41594 1/20 0.34
TSHR P16473 3/20 0.33
LMNA P02545 2/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
USP30 Q70CQ3 1/20 0.33
POLB P06746 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL4553746 0.87 GPR119 (0.38) GPR119LMNANPSR1USP30
SCHEMBL4555415 0.86 GPR119 (0.39) GPR119GRM5TSHRLMNAPOLB
SCHEMBL4555483 0.84 L3MBTL3 (0.36)
SCHEMBL4555034 0.83 GPR119 (0.51) GPR119USP30
SCHEMBL4553358 0.83 GPR119 (0.41) GPR119
SCHEMBL4554044 0.80 GPR119 (0.50) GPR119USP30ALDH1A1
SCHEMBL4554610 0.79 GPR119 (0.38) GPR119KMT2AALDH1A1
SCHEMBL4555039 0.76 GPR119 (0.48) GPR119
SCHEMBL4555036 0.74 GPR119 (0.37) GPR119GRM5USP30
SCHEMBL4555411 0.73 GPR119 (0.52) 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