SCHEMBL4553746

SCHEMBL4553746

CNc1cc([C@H]2CC(C3CCNCC3)CCN2C(=O)OC(C)(C)C)ncn1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 12/20 0.38
TBK1 Q9UHD2 1/20 0.34
PTPN1 P18031 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
USP30 Q70CQ3 1/20 0.33
LMNA P02545 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
JAK2 O60674 1/20 0.32
AKT1 P31749 1/20 0.32

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 0.87 GPR119 (0.39) GPR119USP30LMNANPSR1
SCHEMBL4555034 0.82 GPR119 (0.51) GPR119USP30
SCHEMBL4553358 0.81 GPR119 (0.41) GPR119NPC1RAB9A
SCHEMBL4555415 0.79 GPR119 (0.39) GPR119LMNA
SCHEMBL4554044 0.79 GPR119 (0.50) GPR119NPC1USP30
SCHEMBL4554610 0.78 GPR119 (0.38) GPR119
SCHEMBL4555039 0.74 GPR119 (0.48) GPR119JAK2
SCHEMBL4555036 0.73 GPR119 (0.37) GPR119USP30
SCHEMBL4555411 0.71 GPR119 (0.52) GPR119NPC1
SCHEMBL31329751 0.71 DDB1 (0.59)

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