SCHEMBL5263448

SCHEMBL5263448

CCOC(=O)OC1CCN(c2ncnc(Oc3ccc(C(=O)c4ccc(O)cc4)cc3)c2[N+](=O)[O-])CC1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 10/20 0.61
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 5/20 0.38
ALDH1A1 P00352 3/20 0.37
ACACB O00763 2/20 0.37
LMNA P02545 1/20 0.37
PDE10A Q9Y233 1/20 0.36
BTK Q06187 1/20 0.36
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35

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 0.93 GPR119 (0.61) GPR119MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL5263846 0.93 GPR119 (0.61) GPR119MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL5264416 0.93 GPR119 (0.60) GPR119MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL5262197 0.91 GPR119 (0.65) GPR119MAPTALDH1A1ACACBLMNA
SCHEMBL5261101 0.91 GPR119 (0.68) GPR119MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL5262168 0.91 GPR119 (0.64) GPR119MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL5264193 0.90 GPR119 (0.63) GPR119MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL5264529 0.89 GPR119 (0.66) GPR119SMN1; SMN2MAPTALDH1A1ACACB
SCHEMBL5260729 0.89 GPR119 (0.59) GPR119MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL1673809 0.88 GPR119 (0.78) GPR119KMT2AMAPTALDH1A1KDM4E

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