SCHEMBL4766767

SCHEMBL4766767

CC(=O)CCc1ccc(Oc2nccc(N3CCCCC3)c2[N+](=O)[O-])cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 6/20 0.54
MAPT P10636 6/20 0.45
ALDH1A1 P00352 5/20 0.45
LMNA P02545 5/20 0.45
HPGD P15428 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
NPSR1 Q6W5P4 2/20 0.45
MAPK1 P28482 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
HTT P42858 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
POLB P06746 1/20 0.45
TDP1 Q9NUW8 1/20 0.39
LTA4H P09960 1/20 0.38
THRB P10828 1/20 0.36
MITF O75030 1/20 0.36
PDE10A Q9Y233 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
SCHEMBL1673945 0.86 GPR119 (0.57) GPR119MAPTALDH1A1LMNAHPGD
SCHEMBL386411 0.85 GPR119 (0.77) GPR119MAPTALDH1A1HTTMEN1
SCHEMBL5259360 0.84 GPR119 (0.60) GPR119MAPTALDH1A1LMNAHPGD
SCHEMBL5262571 0.83 GPR119 (0.44) GPR119MAPTALDH1A1LMNAHPGD
SCHEMBL5262573 0.81 GPR119 (0.53) GPR119MAPTALDH1A1LMNAHPGD
SCHEMBL6253407 0.74 GPR119 (0.44) GPR119MAPTALDH1A1LMNAHPGD
SCHEMBL6041164 0.72 GPR119 (0.59) GPR119MAPTALDH1A1HTTTDP1
SCHEMBL1674095 0.72 GPR119 (0.73) GPR119MAPTALDH1A1LMNAHPGD
SCHEMBL1674020 0.72 GPR119 (0.76) GPR119MAPTALDH1A1LMNAHPGD
SCHEMBL27632009 0.71 GPR119 (0.57) GPR119MAPTALDH1A1LMNAHPGD

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-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