SCHEMBL5263099

SCHEMBL5263099

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

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 10/20 0.65
MAPT P10636 5/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 2/20 0.40
ACACB O00763 2/20 0.40
RPS6KB1 P23443 1/20 0.40
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
ALOX12 P18054 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TP53 P04637 1/20 0.38

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
SCHEMBL5264416 0.96 GPR119 (0.60) GPR119MAPTKDM4EALDH1A1HPGD
SCHEMBL5264529 0.92 GPR119 (0.66) GPR119MAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL5263835 0.91 GPR119 (0.78) GPR119MAPTKDM4EALDH1A1HPGD
SCHEMBL5266383 0.91 GPR119 (0.60) GPR119MAPTKDM4EALDH1A1HPGD
SCHEMBL5259999 0.90 GPR119 (0.69) GPR119MAPTALDH1A1ACACBLMNA
SCHEMBL5262168 0.90 GPR119 (0.64) GPR119MAPTALDH1A1SMN1; SMN2ACACB
SCHEMBL5261101 0.90 GPR119 (0.68) GPR119MAPTALDH1A1SMN1; SMN2ACACB
SCHEMBL5264193 0.90 GPR119 (0.63) GPR119MAPTALDH1A1SMN1; SMN2ACACB
SCHEMBL5262539 0.90 GPR119 (0.79) GPR119
SCHEMBL5262377 0.90 GPR119 (0.63) GPR119MAPTKDM4EALDH1A1HPGD

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