SCHEMBL5264170

SCHEMBL5264170

CCOC(=O)OC1CCN(c2ncnc(Oc3ccc(-n4cccc4)cc3)c2[N+](=O)[O-])CC1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 10/20 0.61
MAPT P10636 9/20 0.39
ALDH1A1 P00352 5/20 0.39
ACACB O00763 1/20 0.37
LMNA P02545 1/20 0.37
KDM4E B2RXH2 2/20 0.37
POLB P06746 2/20 0.37
GAA P10253 2/20 0.37
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
USP2 O75604 1/20 0.36
HPGD P15428 1/20 0.36
KLK7 P49862 1/20 0.36
HSD17B10 Q99714 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
SCHEMBL5262162 0.91 GPR119 (0.61) GPR119MAPTALDH1A1KDM4ECYP2C9
SCHEMBL5264529 0.89 GPR119 (0.66) GPR119MAPTALDH1A1ACACBLMNA
SCHEMBL5260271 0.89 GPR119 (0.58) GPR119MAPTALDH1A1LMNAKDM4E
SCHEMBL1673588 0.88 GPR119 (0.78) GPR119MAPTALDH1A1KDM4EPOLB
SCHEMBL5263835 0.88 GPR119 (0.78) GPR119MAPTALDH1A1ACACBLMNA
SCHEMBL5263099 0.88 GPR119 (0.65) GPR119MAPTALDH1A1ACACBLMNA
SCHEMBL5259999 0.87 GPR119 (0.69) GPR119MAPTALDH1A1ACACBLMNA
SCHEMBL5262168 0.87 GPR119 (0.64) GPR119MAPTALDH1A1ACACBLMNA
SCHEMBL5261101 0.87 GPR119 (0.68) GPR119MAPTALDH1A1ACACBLMNA
SCHEMBL5263259 0.87 GPR119 (0.61) GPR119MAPTALDH1A1ACACBPOLB

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