SCHEMBL4048819

SCHEMBL4048819

CC(=O)c1ccc(-c2cnc(CN(C)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
MCHR1 Q99705 2/20 0.37
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 1/20 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
MMP13 P45452 1/20 0.36
MMP14 P50281 1/20 0.36

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
SCHEMBL4050817 0.91 GPR119 (0.40) GPR119MCHR1CHRM2CHRM4CHRM5
SCHEMBL4053675 0.81 CYP2C19 (0.37) MCHR1CHRM2CHRM4CHRM5CHRM1
SCHEMBL4371632 0.79 UBE2M (0.41)
SCHEMBL13690504 0.79 GPR119 (0.53) GPR119
SCHEMBL4050169 0.79 GPR119 (0.57) GPR119
SCHEMBL4048446 0.79 GPR119 (0.43) GPR119
SCHEMBL4048482 0.79 GPR119 (0.56) GPR119
SCHEMBL13690401 0.78 GPR119 (0.48) GPR119MCHR1
SCHEMBL13690402 0.77 GPR119 (0.46) GPR119MCHR1
SCHEMBL4048254 0.77 GPR119 (0.46) 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