SCHEMBL4555417

SCHEMBL4555417

N#Cc1cncc([C@H]2CC(C3CCNCC3)CCN2C(=O)O)n1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSS P25774 3/20 0.33
L3MBTL3 Q96JM7 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CHRNB2 P17787 4/20 0.31
CHRNB4 P30926 4/20 0.31
CHRNA3 P32297 4/20 0.31
CHRNA4 P43681 4/20 0.31
PIM1 P11309 1/20 0.31
PIM3 Q86V86 1/20 0.31
PIM2 Q9P1W9 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
SCHEMBL4555154 0.81 GPR119 (0.39) L3MBTL3L3MBTL1
SCHEMBL4555173 0.74 L3MBTL3 (0.35) L3MBTL3L3MBTL1
SCHEMBL4555483 0.70 L3MBTL3 (0.36) L3MBTL3L3MBTL1
SCHEMBL4555143 0.68 L3MBTL3 (0.32) L3MBTL3L3MBTL1
SCHEMBL4555146 0.68 DPP4 (0.32) L3MBTL3L3MBTL1
SCHEMBL4554681 0.68 L3MBTL3 (0.32) L3MBTL3L3MBTL1
SCHEMBL4555416 0.68 CTSS (0.50) CTSS
SCHEMBL4555362 0.66 L3MBTL3 (0.43) L3MBTL3L3MBTL1
SCHEMBL4554607 0.66 L3MBTL3 (0.38) L3MBTL3L3MBTL1
SCHEMBL4554044 0.65 GPR119 (0.50)

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