SCHEMBL4555404

SCHEMBL4555404

CN(C)c1nsc(N2CCC(C3CCNCC3)C[C@@H]2c2ccc(S(C)(=O)=O)nc2)n1

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 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
SCHEMBL4554600 0.88 GPR119 (0.30) GPR119
SCHEMBL4553713 0.88 GPR119 (0.32) GPR119
SCHEMBL4554945 0.83 ROCK2 (0.30)
SCHEMBL4554110 0.83
SCHEMBL3624026 0.74 GPR119 (0.41) GPR119
SCHEMBL3610712 0.69 PIM1 (0.37)
SCHEMBL4555409 0.66 L3MBTL3 (0.35)
SCHEMBL3625467 0.66 GPR119 (0.49) GPR119
SCHEMBL4554954 0.66 L3MBTL3 (0.34)
SCHEMBL4553721 0.65 EGLN1 (0.37)

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