SCHEMBL5262162

SCHEMBL5262162

CCOC(=O)OC1CCN(c2ncnc(Oc3ccc(-n4ccnc4)cc3)c2[N+](=O)[O-])CC1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 11/20 0.61
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
MAPT P10636 3/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
OGG1 O15527 1/20 0.38
MMP1 P03956 3/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
MITF O75030 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PIK3CD O00329 1/20 0.37

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
SCHEMBL5264170 0.91 GPR119 (0.61) GPR119CYP2C9CYP2C19MAPTKDM4E
SCHEMBL390186 0.90 GPR119 (0.76) GPR119CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL5267022 0.88 GPR119 (0.47) GPR119CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL5262934 0.88 GPR119 (0.80) GPR119MAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL5264529 0.87 GPR119 (0.66) GPR119MAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL5263099 0.86 GPR119 (0.65) GPR119MAPTTSHRKDM4EALDH1A1
SCHEMBL5263835 0.86 GPR119 (0.78) GPR119MAPTTSHRMAPK1KDM4E
SCHEMBL5262168 0.85 GPR119 (0.64) GPR119MAPTMEN1ALDH1A1KMT2A
SCHEMBL5259999 0.85 GPR119 (0.69) GPR119MAPTALDH1A1
SCHEMBL5261101 0.85 GPR119 (0.68) GPR119MAPTMAPK1MEN1ALDH1A1

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-1599468-B1 1,2,3-TRISUBSTITUTED ARYL AND HETEROARYL DERIVATIVES AS MODULATORS OF METABOLISM AND THE PROPHYLAXIS AND TREATMENT OF DISORDERS RELATED THERETO SUCH AS DIABETES AND HYPERGLYCEMIA ARENA PHARM INC (US) 2007-10-03 EP claimed