SCHEMBL5263135

SCHEMBL5263135

CCOC(=O)OC1CCN(c2nccc(Oc3ccc(S(=O)(=O)CC)cc3N)c2[N+](=O)[O-])CC1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 14/20 0.43
MAPT P10636 3/20 0.36
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
CTSB P07858 1/20 0.34
BRD4 O60885 1/20 0.33

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
SCHEMBL5260100 0.89 GPR119 (0.56) GPR119SMN1; SMN2
SCHEMBL389177 0.89 GPR119 (0.56) GPR119MAPTALDH1A1CTSB
SCHEMBL6250384 0.86 GPR119 (0.44) GPR119MAPTALDH1A1
SCHEMBL4706413 0.83 GPR119 (0.37) GPR119MAPTALDH1A1CTSBBRD4
SCHEMBL5070687 0.81 GPR119 (0.51) GPR119MAPTALDH1A1CTSB
SCHEMBL4707378 0.79 MAPT (0.40) GPR119MAPTALDH1A1SMN1; SMN2CTSB
SCHEMBL389452 0.78 GPR119 (0.71) GPR119MAPTALDH1A1
SCHEMBL5263490 0.77 GPR119 (0.45) GPR119MAPTALDH1A1SMN1; SMN2CTSB
SCHEMBL5262297 0.76 GPR119 (0.60) GPR119MAPTALDH1A1SMN1; SMN2CTSB
SCHEMBL5267022 0.76 GPR119 (0.47) GPR119MAPTALDH1A1SMN1; SMN2

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