SCHEMBL4555415

SCHEMBL4555415

CC(C)(C)OC(=O)N1CCC(C2CCNCC2)C[C@@H]1c1cnc(Cl)cn1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 12/20 0.39
TSHR P16473 2/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.33
NR3C1 P04150 1/20 0.33
GRM5 P41594 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
SCHEMBL4554610 0.89 GPR119 (0.38) GPR119ALDH1A1
SCHEMBL4555485 0.86 GPR119 (0.39) GPR119TSHRALDH1A1LMNAPOLB
SCHEMBL4554044 0.86 GPR119 (0.50) GPR119ALDH1A1
SCHEMBL4555034 0.81 GPR119 (0.51) GPR119
SCHEMBL4553746 0.79 GPR119 (0.38) GPR119LMNA
SCHEMBL4555039 0.78 GPR119 (0.48) GPR119
SCHEMBL31329751 0.76 DDB1 (0.59)
SCHEMBL4555036 0.76 GPR119 (0.37) GPR119GRM5
SCHEMBL4554617 0.75 GPR119 (0.35) GPR119TSHRLMNA
SCHEMBL4553358 0.75 GPR119 (0.41) 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