SCHEMBL4354257

SCHEMBL4354257

CN(C)CCN(C)C(=O)c1ccc(-c2ccc3c(c2)COC(C2CCN(C(=O)O)CC2)O3)nc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.40
EPHX2 P34913 1/20 0.39
IKBKB O14920 1/20 0.37
PIK3CA P42336 3/20 0.35
MTOR P42345 3/20 0.35
PIK3CG P48736 3/20 0.35
ATR Q13535 2/20 0.35
HTR2C P28335 2/20 0.34
KCNH2 Q12809 2/20 0.34
MCHR1 Q99705 2/20 0.34
GPR119 Q8TDV5 3/20 0.34
PDE7A Q13946 1/20 0.34
PARP1 P09874 1/20 0.33
OXTR P30559 2/20 0.33
AVPR1A P37288 2/20 0.33
HDAC4 P56524 1/20 0.33
EGLN1 Q9GZT9 1/20 0.32

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
SCHEMBL4352054 0.89 GPR119 (0.46) ROCK2GPR119
SCHEMBL4356487 0.86 ROCK2 (0.36) ROCK2IKBKBPIK3CAMTORPIK3CG
SCHEMBL4536116 0.83 STAT3 (0.43) ROCK2
SCHEMBL4351323 0.81 HRH3 (0.45)
SCHEMBL4525904 0.80 HRH3 (0.40) PIK3CAMTORGPR119
SCHEMBL4538463 0.80 NPY2R (0.39) ROCK2KCNH2MCHR1GPR119
SCHEMBL4538479 0.79 GPR119 (0.41) PIK3CAKCNH2MCHR1GPR119
SCHEMBL4350001 0.78 SLC6A7 (0.46)
SCHEMBL4536512 0.77 GPR119 (0.47) GPR119
SCHEMBL4349923 0.76 GPR119 (0.44) GPR119

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