SCHEMBL5046374

SCHEMBL5046374

CS(=O)(=O)c1ccc(Nc2ncnc(OCC3CCNCC3)c2[N+](=O)[O-])cc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 18/20 0.54
CCNB2 O95067 1/20 0.44
CDK1 P06493 1/20 0.44
CCNB1 P14635 1/20 0.44
CCNA2 P20248 1/20 0.44
CDK2 P24941 1/20 0.44
CCNA1 P78396 1/20 0.44
CCNB3 Q8WWL7 1/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA13 Q8N1Q1 1/20 0.43

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
SCHEMBL388457 0.86 GPR119 (0.62) GPR119
SCHEMBL5190100 0.81 GPR119 (0.55) GPR119
SCHEMBL389360 0.81 GPR119 (0.68) GPR119
SCHEMBL389325 0.81 GPR119 (0.60) GPR119CA1CA2CA7CA13
SCHEMBL3163892 0.80 GPR119 (0.61) GPR119
SCHEMBL27652036 0.79 GPR119 (0.46) GPR119CA1CA2CA7CA13
SCHEMBL389917 0.78 GPR119 (0.64) GPR119
SCHEMBL2784216 0.77 GPR119 (0.59) GPR119
SCHEMBL3164609 0.77 GPR119 (0.58) GPR119
SCHEMBL390181 0.76 GPR119 (0.59) GPR119

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-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