SCHEMBL4056447

SCHEMBL4056447

CNC(=O)c1ccc(-c2cnc(OCC3CCN(C(=O)O)CC3)cn2)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 5/20 0.43
MTOR P42345 1/20 0.42
CYP4F2 P78329 3/20 0.41
CYP4A11 Q02928 3/20 0.41
BAZ2B Q9UIF8 1/20 0.41
ATM Q13315 2/20 0.40
LIPE Q05469 1/20 0.40
HDAC1 Q13547 1/20 0.39
SCN9A Q15858 1/20 0.39
ATR Q13535 2/20 0.39
SCD O00767 1/20 0.38
SCD5 Q86SK9 1/20 0.38
ACHE P22303 2/20 0.38
PRKDC P78527 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
SCHEMBL13690459 0.88 GPR119 (0.59) GPR119HDAC1
SCHEMBL4059326 0.86 PARP15 (0.45) GPR119MTORLIPEATRACHE
SCHEMBL3983586 0.86 GPR119 (0.56) GPR119CYP4F2CYP4A11BAZ2BHDAC1
SCHEMBL4229007 0.84 ATR (0.39) GPR119CYP4F2CYP4A11LIPEATR
SCHEMBL4388608 0.83 ATR (0.42) GPR119ATRACHE
SCHEMBL4048278 0.82 LIPE (0.38) GPR119CYP4F2CYP4A11LIPEACHE
SCHEMBL4055470 0.82 GPR119 (0.45) GPR119
SCHEMBL4376173 0.82 ATR (0.48) GPR119ATRACHE
SCHEMBL4234932 0.82 TPH1 (0.49) GPR119MTORBAZ2BATMATR
SCHEMBL4048867 0.79 SPHK2 (0.44) GPR119ATR

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