SCHEMBL4056338

SCHEMBL4056338

CCC(CC)C(=O)N1CCC(CNc2cnc(-c3ccc(S(C)(=O)=O)cc3)cn2)CC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TPH1 P17752 2/20 0.46
VCP P55072 1/20 0.42
GPR119 Q8TDV5 9/20 0.41
CKS1B P61024 1/20 0.41
SKP1 P63208 1/20 0.41
SKP2 Q13309 1/20 0.41
JAK3 P52333 2/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
PTGS2 P35354 3/20 0.39
KDM4E B2RXH2 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PTGS1 P23219 1/20 0.37

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
SCHEMBL4049787 0.88 TPH1 (0.49) TPH1VCPGPR119CKS1BSKP1
SCHEMBL4562339 0.86 GPR119 (0.49) TPH1VCPGPR119TSHR
SCHEMBL4055884 0.84 GPR119 (0.59) TPH1GPR119
SCHEMBL13690743 0.83 VCP (0.48) TPH1VCPGPR119CKS1BSKP1
SCHEMBL4566452 0.83 GPR119 (0.61) TPH1VCPGPR119
SCHEMBL13690387 0.83 GPR119 (0.59) GPR119
SCHEMBL4055083 0.82 GPR119 (0.44) GPR119PTGS2PTGS1
SCHEMBL4051025 0.81 GPR119 (0.47) TPH1GPR119CKS1BSKP1SKP2
SCHEMBL4053708 0.81 NPY2R (0.48) TPH1VCPGPR119CKS1BSKP1
SCHEMBL13690452 0.80 LMNA (0.43) TPH1VCPGPR119CKS1BSKP1

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