SCHEMBL4434868

SCHEMBL4434868

Cc1nccnc1[C@H]1CC(C2CCNCC2)CCN1c1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 11/20 0.45
IKBKB O14920 2/20 0.35
CHUK O15111 2/20 0.35
GCKR Q14397 1/20 0.33
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
PLAT P00750 1/20 0.32
CCNT1 O60563 1/20 0.32
CDK9 P50750 1/20 0.32
FNTA P49354 1/20 0.31
FNTB P49356 1/20 0.31

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
SCHEMBL4431799 0.76 GPR119 (0.43) GPR119IKBKBCHUKPTGS2PLAT
SCHEMBL3485771 0.73 GPR119 (0.64) GPR119
SCHEMBL2781696 0.68 GPR119 (0.43) GPR119IKBKBCHUK
SCHEMBL3623650 0.68 GPR119 (0.68) GPR119
SCHEMBL4553713 0.67 GPR119 (0.32) GPR119IKBKBCHUKPTGS2
SCHEMBL14138626 0.66 GPR119 (0.62) GPR119
SCHEMBL4554614 0.64 GPR119 (0.53) GPR119
SCHEMBL4574071 0.64 GPR119 (0.39) GPR119PTGS2
SCHEMBL3625467 0.63 GPR119 (0.49) GPR119
SCHEMBL10276715 0.63 GPR119 (0.70) GPR119PTGS2

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