SCHEMBL4049787

SCHEMBL4049787

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

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TPH1 P17752 2/20 0.49
VCP P55072 2/20 0.47
CKS1B P61024 1/20 0.44
SKP1 P63208 1/20 0.44
SKP2 Q13309 1/20 0.44
GPR119 Q8TDV5 6/20 0.42
JAK3 P52333 2/20 0.42
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
PTGS2 P35354 3/20 0.42
KDM4E B2RXH2 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
GRIN2B Q13224 1/20 0.41
PTGS1 P23219 1/20 0.40
LRRK2 Q5S007 1/20 0.39

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
SCHEMBL13690743 0.89 VCP (0.48) TPH1VCPCKS1BSKP1SKP2
SCHEMBL4562339 0.88 GPR119 (0.49) TPH1VCPGPR119TSHRCYP3A4
SCHEMBL3978507 0.88 USP30 (0.47) VCPCKS1BSKP1SKP2GPR119
SCHEMBL4056338 0.88 TPH1 (0.46) TPH1VCPCKS1BSKP1SKP2
SCHEMBL4053708 0.87 NPY2R (0.48) TPH1VCPCKS1BSKP1SKP2
SCHEMBL13690387 0.87 GPR119 (0.59) GPR119
SCHEMBL4055884 0.87 GPR119 (0.59) TPH1GPR119GRIN2B
SCHEMBL4050644 0.87 TPH1 (0.50) TPH1KDM4ETSHRHSD17B10CYP3A4
SCHEMBL3983111 0.86 VCP (0.47) VCPCKS1BSKP1SKP2GPR119
SCHEMBL4565563 0.86 GRIN2B (0.62) CYP3A4CYP2D6CYP2C9GRIN2B

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