SCHEMBL4050817

SCHEMBL4050817

CC(=O)c1ccc(-c2cnc(CN(C3CC3)C3CCN(C(=O)OC(C)C)CC3)cn2)s1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 16/20 0.40
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
MMP1 P03956 2/20 0.36
MMP13 P45452 2/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
MMP7 P09237 1/20 0.36
MMP9 P14780 1/20 0.36
MMP14 P50281 1/20 0.36
MCHR1 Q99705 1/20 0.35

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
SCHEMBL4048819 0.91 GPR119 (0.40) GPR119CHRM2CHRM4CHRM5CHRM1
SCHEMBL4052001 0.80 GPR119 (0.42) GPR119MCHR1
SCHEMBL13690516 0.79 GPR119 (0.60) GPR119
SCHEMBL4057361 0.79 GPR119 (0.45) GPR119
SCHEMBL13690488 0.79 GPR119 (0.53) GPR119
SCHEMBL4053026 0.78 GPR119 (0.50) GPR119
SCHEMBL4048220 0.77 GPR119 (0.44) GPR119MCHR1
SCHEMBL13690502 0.76 GPR119 (0.41) GPR119MMP1MMP13MMP3MMP7
SCHEMBL4058199 0.75 GPR119 (0.51) GPR119
SCHEMBL4047813 0.72 GPR119 (0.52) GPR119

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