SCHEMBL4704876

SCHEMBL4704876

CCOC(=O)OC1CCN(c2nc(Oc3ccc(CCOC)cc3)ccc2[N+](=O)[O-])CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 7/20 0.43
ALDH1A1 P00352 5/20 0.37
CTSB P07858 1/20 0.37
MAPT P10636 7/20 0.35
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HTT P42858 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
USP2 O75604 1/20 0.33
POLB P06746 1/20 0.33
THRB P10828 1/20 0.33
S100A4 P26447 1/20 0.33
RECQL P46063 1/20 0.33
TP53 P04637 1/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33

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
SCHEMBL4705303 0.90 GPR119 (0.53) GPR119ALDH1A1CTSBMAPTLMNA
SCHEMBL389248 0.88 GPR119 (0.56) GPR119ALDH1A1CTSBMAPTHPGD
SCHEMBL4703671 0.87 GPR119 (0.40) GPR119ALDH1A1CTSBMAPTLMNA
SCHEMBL4706555 0.86 GPR119 (0.44) GPR119ALDH1A1CTSBMAPTL3MBTL1
SCHEMBL4706887 0.86 MAPT (0.46) GPR119ALDH1A1CTSBMAPTHTT
SCHEMBL4703083 0.85 GPR119 (0.39) GPR119ALDH1A1CTSBMAPTLMNA
SCHEMBL1070995 0.85 GPR119 (0.43) GPR119ALDH1A1MAPTLMNAHPGD
SCHEMBL4704968 0.85 GPR119 (0.54) GPR119ALDH1A1CTSBMAPTL3MBTL1
SCHEMBL4705333 0.84 MAPT (0.40) GPR119ALDH1A1CTSBMAPTLMNA
SCHEMBL4705110 0.84 MAPT (0.40) GPR119ALDH1A1CTSBMAPTHTT

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
EP-1606282-B1 PHENYL- AND PYRIDYLPIPEREIDINYE-DERIVATIVES AS MODULATORS OF GLUCOSE METABOLISM ARENA PHARM INC (US) 2008-11-12 EP claimed