SCHEMBL4703671

SCHEMBL4703671

CCOC(=O)OC1CCN(c2nc(Oc3ccc(-c4ccc(OC)cc4)cc3)ccc2[N+](=O)[O-])CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 7/20 0.40
MAPT P10636 6/20 0.40
ALDH1A1 P00352 4/20 0.40
HTT P42858 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
KDM4E B2RXH2 2/20 0.38
CTSB P07858 1/20 0.38
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
CASP1 P29466 1/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL4703572 0.90 KDM4E (0.42) GPR119MAPTALDH1A1HTTKDM4E
SCHEMBL4706555 0.89 GPR119 (0.44) GPR119MAPTALDH1A1HTTSMN1; SMN2
SCHEMBL4706887 0.88 MAPT (0.46) GPR119MAPTALDH1A1HTTSMN1; SMN2
SCHEMBL389349 0.88 GPR119 (0.52) GPR119MAPTALDH1A1HTTSMN1; SMN2
SCHEMBL4704876 0.87 GPR119 (0.43) GPR119MAPTALDH1A1HTTCTSB
SCHEMBL4703083 0.87 GPR119 (0.39) GPR119MAPTALDH1A1HTTSMN1; SMN2
SCHEMBL4704968 0.87 GPR119 (0.54) GPR119MAPTALDH1A1HTTSMN1; SMN2
SCHEMBL4705333 0.86 MAPT (0.40) GPR119MAPTALDH1A1HTTSMN1; SMN2
SCHEMBL4705110 0.86 MAPT (0.40) GPR119MAPTALDH1A1HTTSMN1; SMN2
SCHEMBL4706883 0.86 GPR119 (0.36) GPR119MAPTALDH1A1HTTSMN1; SMN2

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