SCHEMBL3683246

SCHEMBL3683246

CS(=O)(=O)c1ccc(Nc2cc(N3CCC(c4nc(-c5cccc(C(F)(F)F)c5)no4)CC3)nc([N+](=O)[O-])n2)cc1

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 12/20 0.70
HTT P42858 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
LMNA P02545 2/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
RECQL P46063 1/20 0.43
KMT2A Q03164 1/20 0.43
GAA P10253 1/20 0.41
GRM5 P41594 1/20 0.41
EPHX1 P07099 1/20 0.39
EPHX2 P34913 1/20 0.39
KCNH2 Q12809 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38

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
SCHEMBL1906053 0.83 GPR119 (0.63) GPR119
SCHEMBL390342 0.82 GPR119 (1.00) GPR119HTTSMN1; SMN2LMNAMEN1
SCHEMBL1834340 0.82 GPR119 (0.65) GPR119
SCHEMBL12733943 0.71 GPR119 (0.81) GPR119
SCHEMBL3975387 0.69 GPR119 (0.52) GPR119HTTSMN1; SMN2LMNAMEN1
SCHEMBL5134301 0.69 GPR119 (0.52) GPR119HTTSMN1; SMN2LMNAMEN1
SCHEMBL3120943 0.68 GRM5 (0.55) GPR119HTTSMN1; SMN2LMNAMEN1
SCHEMBL24844566 0.67 NPSR1 (0.48) GPR119HTTSMN1; SMN2LMNAMEN1
SCHEMBL31741445 0.67 NPSR1 (0.48) GPR119HTTSMN1; SMN2LMNAMEN1
SCHEMBL13556311 0.66 GPR119 (0.62) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2253311-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) 2010-11-24 EP disclosed