SCHEMBL5264529

SCHEMBL5264529

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

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 10/20 0.66
CHRM4 P08173 1/20 0.41
ACACB O00763 3/20 0.41
MAPT P10636 5/20 0.40
LMNA P02545 2/20 0.40
KDM4E B2RXH2 1/20 0.39
GALR2 O43603 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 1/20 0.38
DCK P27707 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
SCHEMBL5263846 0.96 GPR119 (0.61) GPR119CHRM4ACACBMAPTLMNA
SCHEMBL5263099 0.92 GPR119 (0.65) GPR119ACACBMAPTLMNAKDM4E
SCHEMBL5263835 0.92 GPR119 (0.78) GPR119ACACBMAPTLMNAKDM4E
SCHEMBL5262556 0.91 GPR119 (0.62) GPR119ACACBMAPTLMNA
SCHEMBL5263523 0.91 GPR119 (0.62) GPR119ACACBMAPTLMNASMN1; SMN2
SCHEMBL5262168 0.91 GPR119 (0.64) GPR119ACACBMAPTLMNASMN1; SMN2
SCHEMBL5259999 0.91 GPR119 (0.69) GPR119ACACBMAPTLMNAALDH1A1
SCHEMBL5261101 0.91 GPR119 (0.68) GPR119ACACBMAPTLMNAHTT
SCHEMBL5262377 0.91 GPR119 (0.63) GPR119ACACBMAPTLMNAKDM4E
SCHEMBL5264193 0.91 GPR119 (0.63) GPR119ACACBMAPTLMNAHTT

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