SCHEMBL4431799

SCHEMBL4431799

CC(C)(C)[C@H]1CC(C2CCNCC2)CCN1c1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 12/20 0.43
PLAT P00750 1/20 0.33
L3MBTL3 Q96JM7 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PTGS2 P35354 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
IKBKB O14920 1/20 0.32
CHUK O15111 1/20 0.32

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
SCHEMBL3485771 0.78 GPR119 (0.64) GPR119KDM4EALDH1A1LMNA
SCHEMBL4434868 0.76 GPR119 (0.45) GPR119PLATPTGS2IKBKBCHUK
SCHEMBL4554614 0.68 GPR119 (0.53) GPR119
SCHEMBL3487764 0.68 GPR119 (0.42) GPR119L3MBTL3L3MBTL1ALDH1A1
SCHEMBL10276684 0.67 HCRTR1 (0.41) ALDH1A1
SCHEMBL9891735 0.66 CNR2 (0.48) GPR119PTGS2
SCHEMBL4435835 0.66 HRH4 (0.33) GPR119L3MBTL3L3MBTL1ALDH1A1
SCHEMBL4499971 0.66 GPR119 (0.46) GPR119KDM4EALDH1A1LMNA
SCHEMBL532144 0.65 ALDH1A1 (0.69) GPR119KDM4EALDH1A1LMNA
SCHEMBL14138626 0.65 GPR119 (0.62) GPR119KDM4EALDH1A1

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