SCHEMBL4763133

SCHEMBL4763133

O=C(O)C1CCN(c2ncnc(Oc3ccc(Cl)nc3)c2[N+](=O)[O-])CC1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 11/20 0.57
RHOA P61586 1/20 0.41
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CHRM4 P08173 1/20 0.38
NEK2 P51955 1/20 0.38
PDE10A Q9Y233 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
RPS6KB1 P23443 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
SCHEMBL27631863 0.89 GPR119 (0.62) GPR119RHOALMNATDP1CHRM4
SCHEMBL1673633 0.87 GPR119 (0.77) GPR119POLBALDH1A1MAPT
SCHEMBL27631857 0.85 GPR119 (0.62) GPR119RHOALMNATDP1PDE10A
SCHEMBL28757298 0.84 GPR119 (0.67) GPR119RHOALMNATDP1NEK2
SCHEMBL27747820 0.83 GPR119 (0.79) GPR119RHOALMNACHRM4ALDH1A1
SCHEMBL27652250 0.83 GPR119 (0.60) GPR119RHOAPOLBMAPT
SCHEMBL5266383 0.82 GPR119 (0.60) GPR119CHRM4ALDH1A1MAPT
SCHEMBL27631842 0.82 GPR119 (0.70) GPR119RHOALMNANEK2PDE10A
SCHEMBL1070108 0.80 GPR119 (0.79) GPR119RHOALMNAPOLBPDE10A
SCHEMBL27652119 0.79 GPR119 (0.81) GPR119RHOALMNANEK2PDE10A

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-1927594-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) 2008-06-04 EP disclosed
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 disclosed