SCHEMBL4555154

SCHEMBL4555154

N#Cc1cc([C@H]2CC(C3CCNCC3)CCN2C(=O)O)ncn1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 1/20 0.39
L3MBTL3 Q96JM7 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
RIPK1 Q13546 2/20 0.32
SCD5 Q86SK9 1/20 0.32
USP30 Q70CQ3 2/20 0.32
CHEK1 O14757 2/20 0.31
CHEK2 O96017 1/20 0.30

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
SCHEMBL4555483 0.84 L3MBTL3 (0.36) L3MBTL3L3MBTL1
SCHEMBL4555143 0.81 L3MBTL3 (0.32) L3MBTL3L3MBTL1
SCHEMBL4555417 0.81 CTSS (0.33) L3MBTL3L3MBTL1
SCHEMBL4555360 0.76 SPHK2 (0.36)
SCHEMBL4555173 0.74 L3MBTL3 (0.35) L3MBTL3L3MBTL1
SCHEMBL3617657 0.70 GPR119 (0.58) GPR119RIPK1CHEK1CHEK2
SCHEMBL4555485 0.69 GPR119 (0.39) GPR119USP30
SCHEMBL4553746 0.68 GPR119 (0.38) GPR119USP30
SCHEMBL4554607 0.66 L3MBTL3 (0.38) L3MBTL3L3MBTL1RIPK1
SCHEMBL4555362 0.66 L3MBTL3 (0.43) GPR119L3MBTL3L3MBTL1

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