SCHEMBL4706441

SCHEMBL4706441

CCOC(=O)OC1CCN(c2cc(Oc3ccc(CCC(C)=O)cc3)ccc2[N+](=O)[O-])CC1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 1/20 0.49
MAPT P10636 9/20 0.42
ALDH1A1 P00352 6/20 0.42
HPGD P15428 5/20 0.42
MAPK1 P28482 5/20 0.42
LMNA P02545 4/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
HTT P42858 2/20 0.40
TP53 P04637 1/20 0.40
CTSB P07858 1/20 0.40
GPR174 Q9BXC1 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
KMT2A Q03164 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
MEN1 O00255 2/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL4706550 0.93 MAPT (0.42) GPR119MAPTALDH1A1HPGDMAPK1
SCHEMBL389195 0.88 GPR119 (0.63) GPR119MAPTALDH1A1HPGDMAPK1
SCHEMBL4758297 0.87 MAPT (0.41) GPR119MAPTALDH1A1HPGDMAPK1
SCHEMBL4703579 0.84 GPR174 (0.42) MAPTALDH1A1MAPK1LMNAL3MBTL1
SCHEMBL4705303 0.84 GPR119 (0.53) GPR119MAPTALDH1A1HPGDMAPK1
SCHEMBL385902 0.84 GPR119 (0.46) GPR119MAPTALDH1A1HPGDMAPK1
SCHEMBL5266036 0.84 GPR119 (0.53) GPR119MAPTALDH1A1HPGDMAPK1
SCHEMBL389643 0.82 MAPT (0.45) GPR119MAPTALDH1A1HPGDMAPK1
SCHEMBL4702867 0.82 GPR119 (0.50) GPR119MAPTALDH1A1MAPK1TDP1
SCHEMBL5259360 0.82 GPR119 (0.60) GPR119MAPTALDH1A1HPGDMAPK1

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