SCHEMBL4050702

SCHEMBL4050702

CNC(=O)c1ccc(-c2cnc(CN(C)C3CCN(C(=O)O)CC3)cn2)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.46
MCHR1 Q99705 9/20 0.42
ATR Q13535 3/20 0.41
BAZ2B Q9UIF8 1/20 0.40
MTOR P42345 1/20 0.39
ATM Q13315 2/20 0.39
SCD O00767 1/20 0.37
SCD5 Q86SK9 1/20 0.37
PRKDC P78527 1/20 0.36
KCNH2 Q12809 1/20 0.36
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
CHRM4 P08173 1/20 0.35

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
SCHEMBL4370431 0.91 ATR (0.50) GPR119MCHR1ATRBAZ2BATM
SCHEMBL4056589 0.88 ATR (0.40) GPR119MCHR1ATRMTORMKNK1
SCHEMBL4050800 0.88 ALDH1A1 (0.41) GPR119MCHR1ATR
SCHEMBL13690482 0.87 GPR119 (0.63) GPR119
SCHEMBL13690401 0.87 GPR119 (0.48) GPR119MCHR1ATR
SCHEMBL4062791 0.86 HTR1A (0.44) GPR119ATR
SCHEMBL4374631 0.85 ITGB3 (0.40) GPR119MCHR1ATR
SCHEMBL4376368 0.85 MKNK1 (0.46) ATRKCNH2MKNK1MKNK2
SCHEMBL4370580 0.83 ATR (0.34) GPR119MCHR1ATRMKNK1MKNK2
SCHEMBL4060086 0.83 RORC (0.46) GPR119MCHR1ATRMTOR

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