SCHEMBL5260174

SCHEMBL5260174

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

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 11/20 0.67
MAPT P10636 4/20 0.42
LMNA P02545 1/20 0.38
ACACB O00763 4/20 0.38
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL5264549 0.92 GPR119 (0.67) GPR119MAPTLMNAACACBALDH1A1
SCHEMBL5263313 0.92 GPR119 (0.79) GPR119MAPTLMNAACACBALDH1A1
SCHEMBL5264529 0.90 GPR119 (0.66) GPR119MAPTLMNAACACBALDH1A1
SCHEMBL5263835 0.89 GPR119 (0.78) GPR119MAPTLMNAACACBALDH1A1
SCHEMBL5263099 0.89 GPR119 (0.65) GPR119MAPTLMNAACACBALDH1A1
SCHEMBL5263665 0.89 GPR119 (0.60) GPR119MAPTLMNAACACBALDH1A1
SCHEMBL5261101 0.88 GPR119 (0.68) GPR119MAPTLMNAACACBKMT2A
SCHEMBL5262168 0.88 GPR119 (0.64) GPR119MAPTLMNAACACBKMT2A
SCHEMBL5259999 0.88 GPR119 (0.69) GPR119MAPTLMNAACACBALDH1A1
SCHEMBL1673669 0.88 GPR119 (0.84) GPR119MAPTKMT2AALDH1A1

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