SCHEMBL4356487

SCHEMBL4356487

CN(C)CCN(C)C(=O)c1ccc(-c2ccc3c(c2)COC(C2CCN(C(=O)O)CC2)O3)cn1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.36
EED O75530 1/20 0.35
SUZ12 Q15022 1/20 0.35
EZH2 Q15910 1/20 0.35
MCHR1 Q99705 6/20 0.35
KCNH2 Q12809 4/20 0.35
HTR2C P28335 3/20 0.35
MTOR P42345 4/20 0.34
IKBKB O14920 1/20 0.33
MKNK1 Q9BUB5 1/20 0.33
GPR119 Q8TDV5 2/20 0.32
PDE7A Q13946 1/20 0.31
MLNR O43193 1/20 0.31
PIK3CA P42336 2/20 0.31
PIK3CG P48736 2/20 0.31
ENPP2 Q13822 1/20 0.30
HSD11B1 P28845 1/20 0.30

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
SCHEMBL4349923 0.89 GPR119 (0.44) GPR119
SCHEMBL4354257 0.86 ROCK2 (0.40) ROCK2MCHR1KCNH2HTR2CMTOR
SCHEMBL4538191 0.83 TNKS (0.41) ROCK2KCNH2MTORGPR119PDE7A
SCHEMBL4540460 0.81 SMN1; SMN2 (0.43) MTORPIK3CA
SCHEMBL4536658 0.79 GPR119 (0.39) KCNH2GPR119PIK3CAPIK3CG
SCHEMBL4538463 0.79 NPY2R (0.39) ROCK2MCHR1KCNH2GPR119
SCHEMBL4540933 0.77 CYP11B1 (0.44) HTR2CPIK3CA
SCHEMBL13586038 0.76 GPR119 (0.54) GPR119
SCHEMBL4529829 0.76 GPR142 (0.43)
SCHEMBL4352054 0.76 GPR119 (0.46) ROCK2GPR119

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-2009150144-A1 NEW GPR119MODULATORS INOVACIA AB (SE) 2009-12-17 WO disclosed