SCHEMBL13690502

SCHEMBL13690502

CC(C)OC(=O)N1CCC(N(Cc2cnc(-c3ccc(N[S+](C)[O-])cc3)cn2)C2CC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 18/20 0.41
CLK2 P49760 1/20 0.35
CLK3 P49761 1/20 0.35
DYRK1A Q13627 1/20 0.35
MMP1 P03956 1/20 0.34
MMP3 P08254 1/20 0.34
MMP7 P09237 1/20 0.34
MMP9 P14780 1/20 0.34
MMP8 P22894 1/20 0.34
MMP13 P45452 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
SCHEMBL4052001 0.87 GPR119 (0.42) GPR119CLK2CLK3DYRK1A
SCHEMBL4048220 0.86 GPR119 (0.44) GPR119CLK2CLK3DYRK1A
SCHEMBL13690466 0.86 EPHX2 (0.35) GPR119
SCHEMBL4053026 0.84 GPR119 (0.50) GPR119CLK2CLK3DYRK1A
SCHEMBL13690516 0.84 GPR119 (0.60) GPR119
SCHEMBL13690488 0.83 GPR119 (0.53) GPR119
SCHEMBL13690402 0.78 GPR119 (0.46) GPR119CLK2CLK3DYRK1A
SCHEMBL4058199 0.78 GPR119 (0.51) GPR119
SCHEMBL4048254 0.77 GPR119 (0.46) GPR119
SCHEMBL3988664 0.77 GPR119 (0.46) GPR119CLK2CLK3DYRK1A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009106561-A1 PYRAZINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS BIOVITRUM AB (PUBL) (SE) 2009-09-03 WO disclosed