SCHEMBL4387699

SCHEMBL4387699

CS(=O)(=O)c1ccc(-c2cnc(CNC3CCN(CC(=O)c4ccccc4)CC3)cn2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
KCNH2 Q12809 1/20 0.41
RORC P51449 1/20 0.40
GPR119 Q8TDV5 2/20 0.38
ATR Q13535 3/20 0.37
CPT2 P23786 1/20 0.37
CPT1A P50416 1/20 0.37
CPT1B Q92523 1/20 0.37
HPGDS O60760 1/20 0.37
PRKDC P78527 1/20 0.37
VCP P55072 1/20 0.37
CKS1B P61024 1/20 0.37
SKP1 P63208 1/20 0.37
SKP2 Q13309 1/20 0.37
GRIN2B Q13224 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
NOS3 P29474 1/20 0.36
NOS1 P29475 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
SCHEMBL3983393 0.72 PAICS (0.43) GPR119CKS1BSKP1SKP2
SCHEMBL3981387 0.71 GPR119 (0.44) RORCGPR119ATR
SCHEMBL4387698 0.70 RORC (0.47) RORCGPR119ATR
SCHEMBL4972827 0.69 GPR119 (0.39) HTR2AKCNH2GPR119ATRVCP
SCHEMBL4050438 0.69 GPR119 (0.43) KCNH2RORCGPR119ATRJAK2
SCHEMBL3982003 0.69 PAICS (0.48) KCNH2GPR119JAK2
Hydrochloric Acid SCHEMBL4055905 0.69 GPR119 (0.43) KCNH2RORCGPR119ATRJAK2
SCHEMBL4457004 0.68 HSP90AA1 (0.42) KCNH2GPR119
SCHEMBL13690743 0.67 VCP (0.48) GPR119ATRVCPCKS1BSKP1
SCHEMBL4053994 0.67 GPR119 (0.42) RORCGPR119ATRCPT2CPT1A

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