SCHEMBL4049265

SCHEMBL4049265

CCCNC(=O)c1ccc(-c2cnc(CN(C)C3CCN(C(=O)OC(C)C)CC3)cn2)cc1F

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 18/20 0.52
IKBKB O14920 1/20 0.38
MAPK1 P28482 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
SCHEMBL4047813 0.93 GPR119 (0.52) GPR119MAPK1
SCHEMBL4055733 0.89 IKBKB (0.41) GPR119IKBKBMAPK1
SCHEMBL4050577 0.88 IKBKB (0.39) GPR119IKBKBMAPK1
SCHEMBL4057221 0.88 GPR119 (0.53) GPR119
SCHEMBL4543839 0.84 GPR119 (0.41) GPR119IKBKBMAPK1
SCHEMBL13690518 0.83 HTR1A (0.38) IKBKB
SCHEMBL4058199 0.80 GPR119 (0.51) GPR119
SCHEMBL13690401 0.79 GPR119 (0.48) GPR119
SCHEMBL13690504 0.77 GPR119 (0.53) GPR119
SCHEMBL4050169 0.77 GPR119 (0.57) GPR119

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