SCHEMBL4060086

SCHEMBL4060086

CN(Cc1cnc(-c2ccc(S(C)(=O)=O)cc2)cn1)C1CCN(C(=O)O)CC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.46
GPR119 Q8TDV5 13/20 0.44
MCHR1 Q99705 1/20 0.37
PIK3CA P42336 1/20 0.37
MTOR P42345 1/20 0.37
ATR Q13535 1/20 0.37
CPT2 P23786 1/20 0.35
CPT1A P50416 1/20 0.35
CPT1B Q92523 1/20 0.35
CCNE2 O96020 1/20 0.35
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35
GSK3B P49841 1/20 0.35
TNF P01375 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
SCHEMBL4387698 0.90 RORC (0.47) RORCGPR119ATR
SCHEMBL4053567 0.89 GPR119 (0.47) RORCGPR119
SCHEMBL3981756 0.88 GPR119 (0.42) GPR119MCHR1
SCHEMBL4056917 0.87 NPY2R (0.48) RORCGPR119CPT2CPT1ACPT1B
SCHEMBL4048482 0.87 GPR119 (0.56) RORCGPR119
SCHEMBL4370580 0.86 ATR (0.34) RORCGPR119MCHR1ATRGSK3B
SCHEMBL3984054 0.86 GPR119 (0.48) RORCGPR119PIK3CAMTOR
SCHEMBL4058099 0.86 RORC (0.47) RORCGPR119
SCHEMBL4374631 0.85 ITGB3 (0.40) GPR119MCHR1ATRCCNE2CCNE1
SCHEMBL4049314 0.85 GPR119 (0.49) RORCGPR119

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