SCHEMBL4050800

SCHEMBL4050800

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

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
GPR119 Q8TDV5 8/20 0.39
MCHR1 Q99705 5/20 0.39
ATR Q13535 3/20 0.38
CYP3A4 P08684 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
HPGD P15428 2/20 0.38
CYP1A2 P05177 2/20 0.37
KDM4E B2RXH2 1/20 0.37
TP53 P04637 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL13690530 0.90 ATR (0.47) MCHR1ATRHPGDSMN1; SMN2
SCHEMBL4056589 0.90 ATR (0.40) GPR119MCHR1ATRHPGD
SCHEMBL4050702 0.88 GPR119 (0.46) GPR119MCHR1ATR
SCHEMBL13690504 0.87 GPR119 (0.53) GPR119
SCHEMBL4374631 0.86 ITGB3 (0.40) ALDH1A1GPR119MCHR1ATRHPGD
SCHEMBL4376368 0.86 MKNK1 (0.46) ATR
SCHEMBL3980484 0.86 GPR119 (0.45) GPR119MCHR1TP53SMN1; SMN2
SCHEMBL4543729 0.85 MCHR1 (0.43) ALDH1A1ALOX15HSD17B10CLK4GPR119
SCHEMBL4057842 0.85 HTR1A (0.43) HPGD
SCHEMBL4060086 0.85 RORC (0.46) GPR119MCHR1ATR

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