SCHEMBL4554681

SCHEMBL4554681

O=C(O)N1CCC(C2CCNCC2)C[C@@H]1c1nc(Cl)ncc1F

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MAPT P10636 1/20 0.31
ABL1 P00519 1/20 0.31
BCR P11274 1/20 0.31
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
MELK Q14680 1/20 0.30
KMT2A Q03164 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
SCHEMBL4555146 0.87 DPP4 (0.32) L3MBTL3L3MBTL1HCRTR1HCRTR2
SCHEMBL4554617 0.75 GPR119 (0.35)
SCHEMBL4555483 0.73 L3MBTL3 (0.36) L3MBTL3L3MBTL1MELK
SCHEMBL4555173 0.72 L3MBTL3 (0.35) L3MBTL3L3MBTL1
SCHEMBL4555417 0.68 CTSS (0.33) L3MBTL3L3MBTL1
SCHEMBL4553619 0.67 LRRK2 (0.38) L3MBTL3L3MBTL1MELK
SCHEMBL4554607 0.66 L3MBTL3 (0.38) L3MBTL3L3MBTL1
SCHEMBL4555362 0.66 L3MBTL3 (0.43) L3MBTL3L3MBTL1
SCHEMBL4555143 0.66 L3MBTL3 (0.32) L3MBTL3L3MBTL1
SCHEMBL4555154 0.66 GPR119 (0.39) L3MBTL3L3MBTL1

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