SCHEMBL6253904

SCHEMBL6253904

COC(=O)CC(=O)c1ccc(Oc2ccnc(N3CCC(C(=O)O)CC3)c2[N+](=O)[O-])cc1

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 8/20 0.62
ALDH1A1 P00352 3/20 0.39
MAPT P10636 3/20 0.39
RHOA P61586 1/20 0.39
NEK2 P51955 2/20 0.38
PDE10A Q9Y233 1/20 0.37
GAA P10253 1/20 0.36
ELANE P08246 2/20 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
SCHEMBL389000 0.90 GPR119 (0.77) GPR119ALDH1A1MAPT
SCHEMBL27652119 0.86 GPR119 (0.81) GPR119ALDH1A1MAPTRHOANEK2
SCHEMBL5262728 0.85 GPR119 (0.61) GPR119ALDH1A1MAPTPDE10A
SCHEMBL1673701 0.78 GPR119 (0.58) GPR119ALDH1A1MAPT
SCHEMBL27631842 0.76 GPR119 (0.70) GPR119ALDH1A1MAPTRHOANEK2
SCHEMBL388361 0.76 GPR119 (1.00) GPR119ALDH1A1MAPTGAA
SCHEMBL1673803 0.74 GPR119 (0.77) GPR119MAPT
SCHEMBL1673770 0.73 GPR119 (0.43) GPR119ALDH1A1
SCHEMBL5263490 0.73 GPR119 (0.45) GPR119ALDH1A1MAPTPDE10A
SCHEMBL6250384 0.72 GPR119 (0.44) GPR119ALDH1A1MAPTRHOANEK2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1599468-A1 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 Pharmaceuticals, Inc. (US) 2005-11-30 EP disclosed
WO-2004065380-A1 1,2,3-TRISUBSTITUTED ARYL AND HETEROARYL DERIVATIVES AS MODULATORS OF METABOLISM AND THE PRPPHYLAXIS AND TREATMENT OF DISORDERS RELATED THERETO SUCH AS DIABETES AND HYPERGLYCEMIA ARENA PHARMACEUTICALS INC. (US) 2004-08-05 WO disclosed