SCHEMBL5266142

SCHEMBL5266142

CCOC(=O)OC1CCN(c2ncnc(Oc3ccc(OCc4ccccc4)cc3)c2[N+](=O)[O-])CC1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 11/20 0.60
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41
MAPT P10636 3/20 0.40
ALDH1A1 P00352 1/20 0.40
MGMT P16455 1/20 0.40
EGFR P00533 2/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL5263259 0.89 GPR119 (0.61) GPR119MEN1KMT2AMAPTALDH1A1
SCHEMBL1673793 0.89 GPR119 (0.77) GPR119MEN1KMT2AMAPTALDH1A1
SCHEMBL5264529 0.88 GPR119 (0.66) GPR119MAPTALDH1A1
SCHEMBL5263835 0.88 GPR119 (0.78) GPR119MAPTALDH1A1
SCHEMBL5263099 0.88 GPR119 (0.65) GPR119MAPTALDH1A1
SCHEMBL5260174 0.87 GPR119 (0.67) GPR119KMT2AMAPTALDH1A1
SCHEMBL5262168 0.87 GPR119 (0.64) GPR119MEN1KMT2AMAPTALDH1A1
SCHEMBL5261101 0.87 GPR119 (0.68) GPR119MEN1KMT2AMAPTALDH1A1
SCHEMBL5259999 0.87 GPR119 (0.69) GPR119MAPTALDH1A1
SCHEMBL5264170 0.86 GPR119 (0.61) GPR119MAPTALDH1A1

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