SCHEMBL5260729

SCHEMBL5260729

CCOC(=O)OC1CCN(c2ncnc(Oc3ccc(-c4ncc(O)cn4)cc3)c2[N+](=O)[O-])CC1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 10/20 0.59
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPT P10636 6/20 0.36
ALDH1A1 P00352 2/20 0.36
ACACB O00763 1/20 0.36
LMNA P02545 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
HRH2 P25021 1/20 0.35
HRH1 P35367 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
SCHEMBL1673824 0.89 GPR119 (0.76) GPR119KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL5263448 0.89 GPR119 (0.61) GPR119KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL5262377 0.89 GPR119 (0.63) GPR119MAPTALDH1A1ACACBLMNA
SCHEMBL5262168 0.88 GPR119 (0.64) GPR119KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL5261101 0.88 GPR119 (0.68) GPR119KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL5264529 0.88 GPR119 (0.66) GPR119SMN1; SMN2MAPTALDH1A1ACACB
SCHEMBL5264193 0.87 GPR119 (0.63) GPR119KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL5263099 0.87 GPR119 (0.65) GPR119SMN1; SMN2MAPTALDH1A1ACACB
SCHEMBL5263835 0.87 GPR119 (0.78) GPR119SMN1; SMN2MAPTALDH1A1ACACB
SCHEMBL5262197 0.86 GPR119 (0.65) GPR119MAPTALDH1A1ACACBLMNA

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