SCHEMBL4926513

SCHEMBL4926513

Cc1ccc(S(=O)(=O)OCCC2CNCCO2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 7/20 0.40
SLC6A4 P31645 7/20 0.40
SLC6A3 Q01959 5/20 0.40
HTR2A P28223 2/20 0.40
HTR2B P41595 2/20 0.40
ADRB2 P07550 1/20 0.40
HTR1A P08908 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA2C P18825 1/20 0.40
SLC12A2 P55011 1/20 0.38
SLC12A5 Q9H2X9 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA9 Q16790 1/20 0.37
HTR6 P50406 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
STAT3 P40763 1/20 0.36
HRH1 P35367 1/20 0.36
OPRD1 P41143 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
SCHEMBL7820720 0.88 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3HTR2AHTR2B
SCHEMBL18052240 0.87 HTR2A (0.47) SLC6A2SLC6A4SLC6A3HTR2AHTR2B
SCHEMBL18052179 0.87 HTR2A (0.47) SLC6A2SLC6A4SLC6A3HTR2AHTR2B
SCHEMBL3025283 0.87 HTR2A (0.47) SLC6A2SLC6A4SLC6A3HTR2AHTR2B
SCHEMBL14975401 0.84 SLC12A2 (0.45) SLC12A2SLC12A5CA12CA1CA9
SCHEMBL14975403 0.84 SLC12A2 (0.45) SLC12A2SLC12A5CA12CA1CA9
SCHEMBL6221876 0.81 KMT2A (0.49) SLC12A2SLC12A5CA12CA1CA9
SCHEMBL2098311 0.81 KMT2A (0.49) SLC12A2SLC12A5CA12CA1CA9
SCHEMBL4065055 0.81 KMT2A (0.49) SLC12A2SLC12A5CA12CA1CA9
SCHEMBL2929267 0.80 SLC12A2 (0.54) SLC12A2SLC12A5MEN1KMT2A

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
WO-2008016811-A2 AMINOPIPERIDINES AND REALTED COMPOUNDS NEUROGEN CORPORATION (US) 2008-02-07 WO disclosed