SCHEMBL5048668

SCHEMBL5048668

CCCC1CCN(c2cc(Oc3ccc(CC=O)cc3)ccc2[N+](=O)[O-])CC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 10/20 0.38
MAPK1 P28482 5/20 0.38
TDP1 Q9NUW8 2/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
THRB P10828 1/20 0.37
ALDH1A1 P00352 6/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
GPR174 Q9BXC1 2/20 0.37
LMNA P02545 5/20 0.36
POLB P06746 1/20 0.36
ACHE P22303 1/20 0.36
RECQL P46063 1/20 0.36
HPGD P15428 3/20 0.36
TP53 P04637 1/20 0.35
HTT P42858 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
SCHEMBL5188843 0.91 SMN1; SMN2 (0.38) SMN1; SMN2MAPTMAPK1TDP1L3MBTL1
SCHEMBL5188249 0.88 MAPT (0.40) SMN1; SMN2MAPTMAPK1TDP1L3MBTL1
SCHEMBL5577991 0.87 MAPT (0.40) SMN1; SMN2MAPTMAPK1TDP1L3MBTL1
SCHEMBL389075 0.87 SMN1; SMN2 (0.40) SMN1; SMN2MAPTMAPK1TDP1L3MBTL1
SCHEMBL386161 0.86 KMT2A (0.40) SMN1; SMN2MAPTMAPK1TDP1L3MBTL1
SCHEMBL389019 0.85 LMNA (0.45) SMN1; SMN2MAPTMAPK1TDP1L3MBTL1
SCHEMBL385902 0.85 GPR119 (0.46) SMN1; SMN2MAPTMAPK1TDP1L3MBTL1
SCHEMBL388928 0.85 THRB (0.44) SMN1; SMN2MAPTMAPK1TDP1L3MBTL1
SCHEMBL5187758 0.84 MAPT (0.44) SMN1; SMN2MAPTMAPK1TDP1L3MBTL1
SCHEMBL389375 0.83 THRB (0.43) SMN1; SMN2MAPTMAPK1TDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2004157-A2 USE OF GPR119 RECEPTOR AGONISTS FOR INCREASING BONE MASS AND FOR TREATING OSTEOPOROSIS, AS WELL AS COMBINATION THERAPY RELATING THERETO Arena Pharmaceuticals, Inc. (US) 2008-12-24 EP disclosed
WO-2007120702-A2 USE OF GPR119 RECEPTOR AGONISTS FOR INCREASING BONE MASS AND FOR TREATING OSTEOPOROSIS, AND COMBINATION THERAPY RELATING THERETO ARENA PHARMACEUTICALS, INC. (US) 2007-10-25 WO disclosed
EP-1758565-A2 COMBINATION THERAPY FOR THE TREATMENT OF DIABETES AND CONDITIONS RELATED THERETO AND FOR THE TREATMENT OF CONDITIONS AMELIORATED BY INCREASING A BLOOD GLP-1 LEVEL Arena Pharmaceuticals, Inc. (US) 2007-03-07 EP disclosed
WO-2006076231-A2 COMBINATION THERAPY FOR THE TREATMENT OF DIABETES AND CONDITIONS RELATED THERETO AND FOR THE TREATMENT OF CONDITIONS AMELIORATED BY INCREASING A BLOOD GLP-1 LEVEL ARENA PHARMACEUTICALS, INC. (US) 2006-07-20 WO disclosed