SCHEMBL9687813

SCHEMBL9687813

CC(C)(C)[Si](C)(C)Oc1ccc(CCCN2CCC(O)C2)cc1O[Si](C)(C)C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.42
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
CHRM2 P08172 1/20 0.40
ADRA2A P08913 1/20 0.40
CHRM1 P11229 1/20 0.40
DRD2 P14416 1/20 0.40
ADRA2B P18089 1/20 0.40
CHRM3 P20309 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
HTR3A P46098 1/20 0.40
HTR3D Q70Z44 1/20 0.40
HTR3C Q8WXA8 1/20 0.40
HRH1 P35367 1/20 0.39
SIGMAR1 Q99720 3/20 0.39
SPHK1 Q9NYA1 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39

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
SCHEMBL9687111 0.83 DRD2 (0.40) ABCB1HTR3EHTR3BCHRM2ADRA2A
SCHEMBL9688429 0.80 OPRD1 (0.40) CHRM2CHRM1DRD2SLC6A4
SCHEMBL22068058 0.71 DRD2 (0.45) DRD2SIGMAR1TMEM97
SCHEMBL6796838 0.71 SIGMAR1 (0.57) DRD2HRH1SIGMAR1SPHK1HRH3
SCHEMBL6796835 0.71 SIGMAR1 (0.57) DRD2HRH1SIGMAR1SPHK1HRH3
SCHEMBL13493065 0.71 GAA (0.45) SPHK1HRH3LTA4HSLC6A4
SCHEMBL19043430 0.71 GAA (0.45) SPHK1HRH3LTA4HSLC6A4
SCHEMBL13108574 0.71 GAA (0.45) SPHK1HRH3LTA4HSLC6A4
SCHEMBL9687809 0.70 MCHR1 (0.34) DRD2
SCHEMBL20553932 0.69 KDM4E (0.53) ADRA2ADRD2HTR2AHTR2CADRA1A

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-0472062-A1 Beta-lactam compounds, and their production and use SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1992-02-26 EP disclosed