SCHEMBL7093891

SCHEMBL7093891

CC(C)(C)OC(=O)[N+]1(C2CCNCC2)CCC(Oc2ccc(S(C)(=O)=O)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 16/20 0.52
SLC9A3 P48764 1/20 0.37
HRH1 P35367 1/20 0.36
HRH3 Q9Y5N1 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
SCHEMBL7103043 0.81 GPR119 (0.41) GPR119HRH1HRH3
SCHEMBL6681927 0.81 SLC6A4 (0.43) HRH1
SCHEMBL4717235 0.77 HRH1 (0.56) GPR119SLC9A3HRH1HRH3
Hydrochloric Acid SCHEMBL4105228 0.76 HRH1 (0.54) GPR119SLC9A3HRH1HRH3
SCHEMBL6673776 0.74 CHRM2 (0.36)
SCHEMBL2555749 0.72 GPR119 (0.56) GPR119SLC9A3HRH1HRH3
SCHEMBL7575563 0.72
SCHEMBL2555752 0.72 GPR119 (0.56) GPR119SLC9A3HRH1HRH3
Hydrochloric Acid SCHEMBL2553809 0.71 GPR119 (0.55) GPR119SLC9A3HRH1HRH3
Hydrochloric Acid SCHEMBL14634228 0.71 GPR119 (0.55) GPR119SLC9A3HRH1HRH3

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-1274701-A1 CHEMICAL COMPOUNDS AstraZeneca AB (SE) 2003-01-15 EP disclosed
WO-2001077101-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2001-10-18 WO disclosed