SCHEMBL4555409

SCHEMBL4555409

CN(C)c1nsc([C@H]2CC(C3CCNCC3)CCN2c2ccc(C(=O)O)cc2)n1

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
USP2 O75604 1/20 0.34

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
SCHEMBL4553721 0.77 EGLN1 (0.37)
SCHEMBL3617082 0.72 USP2 (0.53) USP2
SCHEMBL4553713 0.69 GPR119 (0.32)
SCHEMBL4554110 0.65
SCHEMBL3610712 0.64 PIM1 (0.37)
SCHEMBL3613238 0.63 USP2 (0.40) USP2
SCHEMBL3620264 0.61 ALDH1A1 (0.44) L3MBTL1USP2
SCHEMBL18838606 0.61 OPRD1 (0.46) L3MBTL3L3MBTL1USP2
SCHEMBL3625686 0.60 SMYD3 (0.47) USP2
SCHEMBL27937012 0.60 PDE5A (0.44) L3MBTL3L3MBTL1USP2

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 4 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 claimed
WO-2008085316-A1 BIPIPERIDINYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK & CO., INC. (US) 2008-07-17 WO claimed
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