SCHEMBL4055083

SCHEMBL4055083

CCC(CC)C(=O)N1CCC(COc2cnc(-c3ccc(S(C)(=O)=O)cc3)cn2)CC1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 15/20 0.44
GPR183 P32249 1/20 0.44
PTGS2 P35354 3/20 0.39
PTGS1 P23219 1/20 0.39
LIPE Q05469 1/20 0.38

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
SCHEMBL4055470 0.87 GPR119 (0.45) GPR119GPR183PTGS2PTGS1
SCHEMBL4049838 0.87 GPR119 (0.49) GPR119GPR183
SCHEMBL384779 0.85 GPR119 (0.58) GPR119
SCHEMBL13690506 0.83 LIPE (0.37) GPR119LIPE
SCHEMBL4053229 0.83 GPR119 (0.61) GPR119GPR183
SCHEMBL4053560 0.83 GPR119 (0.52) GPR119GPR183
SCHEMBL4059388 0.83 LMNA (0.44) GPR119GPR183PTGS2PTGS1
SCHEMBL4056338 0.82 TPH1 (0.46) GPR119PTGS2PTGS1
SCHEMBL4048734 0.81 GPR119 (0.49) GPR119
SCHEMBL4056120 0.81 GPR119 (0.51) GPR119GPR183PTGS2PTGS1LIPE

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 claimed
WO-2009106561-A1 PYRAZINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS BIOVITRUM AB (PUBL) (SE) 2009-09-03 WO disclosed