SCHEMBL4059822

SCHEMBL4059822

COC(=O)Nc1ccc(-c2cnc(CN(C)C3CCN(C(=O)O)CC3)cn2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 4/20 0.41
ATR Q13535 3/20 0.40
LTA4H P09960 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
ATM Q13315 2/20 0.36
USP30 Q70CQ3 1/20 0.35
MTOR P42345 2/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
GFER P55789 1/20 0.35
PIK3CA P42336 1/20 0.34
PIK3CG P48736 1/20 0.34
RICTOR Q6R327 1/20 0.34
RPTOR Q8N122 1/20 0.34
MAPKAP1 Q9BPZ7 1/20 0.34
MLST8 Q9BVC4 1/20 0.34

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
SCHEMBL13690402 0.88 GPR119 (0.46) MCHR1ATRMTORPIK3CAPIK3CG
SCHEMBL13690522 0.85 ATR (0.42) ATRMTORPIK3CA
SCHEMBL4374631 0.83 ITGB3 (0.40) MCHR1ATRLTA4H
SCHEMBL4050702 0.83 GPR119 (0.46) MCHR1ATRATMMTOR
SCHEMBL4056589 0.82 ATR (0.40) MCHR1ATRMTOR
SCHEMBL4050800 0.82 ALDH1A1 (0.41) MCHR1ATRSMN1; SMN2
SCHEMBL4370580 0.82 ATR (0.34) MCHR1ATRLTA4H
SCHEMBL4060086 0.82 RORC (0.46) MCHR1ATRMTORPIK3CA
SCHEMBL13690785 0.81 ATR (0.48) MCHR1ATRMTORPIK3CAPIK3CG
SCHEMBL4048220 0.79 GPR119 (0.44) MCHR1ATRMTORPIK3CAPIK3CG

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