SCHEMBL4053708

SCHEMBL4053708

CS(=O)(=O)c1ccc(-c2cnc(NCC3CCN(C(=O)Oc4ccccc4)CC3)cn2)cc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPY2R P49146 1/20 0.48
GRIN2B Q13224 4/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C9 P11712 2/20 0.46
VCP P55072 1/20 0.46
GPR119 Q8TDV5 10/20 0.45
TPH1 P17752 2/20 0.44
CKS1B P61024 1/20 0.43
SKP1 P63208 1/20 0.43
SKP2 Q13309 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL4565563 0.88 GRIN2B (0.62) GRIN2BCYP3A4CYP2D6CYP2C9
SCHEMBL4562339 0.87 GPR119 (0.49) GRIN2BCYP3A4CYP2D6CYP2C9VCP
SCHEMBL4049787 0.87 TPH1 (0.49) GRIN2BCYP3A4CYP2D6CYP2C9VCP
SCHEMBL13690743 0.86 VCP (0.48) GRIN2BCYP3A4CYP2D6CYP2C9VCP
SCHEMBL4055884 0.86 GPR119 (0.59) GRIN2BGPR119TPH1
SCHEMBL13690387 0.86 GPR119 (0.59) GPR119
SCHEMBL4051025 0.84 GPR119 (0.47) GRIN2BCYP3A4CYP2D6CYP2C9GPR119
SCHEMBL4566452 0.84 GPR119 (0.61) GRIN2BCYP3A4CYP2D6CYP2C9VCP
SCHEMBL4056120 0.84 GPR119 (0.51) NPY2RGPR119GAA
SCHEMBL13690456 0.83 GPR119 (0.43) GRIN2BCYP3A4CYP2D6CYP2C9VCP

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