SCHEMBL9345642

SCHEMBL9345642

CC(NS(=O)(=O)c1ccc(F)c2ncccc12)N1CCN(CCCOc2ccccc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.40
HTR1A P08908 3/20 0.40
HTR2A P28223 3/20 0.40
DRD3 P35462 3/20 0.40
DRD1 P21728 2/20 0.40
POLB P06746 1/20 0.40
NFE2L2 Q16236 3/20 0.39
ALDH1A1 P00352 2/20 0.39
GAA P10253 1/20 0.39
HRH3 Q9Y5N1 4/20 0.39
HRH1 P35367 2/20 0.39
ADRA2C P18825 1/20 0.39
DRD5 P21918 1/20 0.39
HTR7 P34969 1/20 0.39
KDM4E B2RXH2 3/20 0.38
SLC2A1 P11166 1/20 0.38
KCNH2 Q12809 1/20 0.38
TMEM97 Q5BJF2 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37

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
SCHEMBL9346876 0.90 HRH3 (0.39) DRD2HTR1AHTR2ADRD3ALDH1A1
SCHEMBL9349805 0.90 SMN1; SMN2 (0.41) DRD2HTR1AHTR2ADRD3NFE2L2
SCHEMBL9349897 0.87 SMN1; SMN2 (0.39) DRD2HTR1AHTR2ADRD3ALDH1A1
SCHEMBL9349827 0.85 HTR1A (0.51) DRD2HTR1AHTR2ADRD3HRH3
SCHEMBL9345654 0.85 ALDH1A1 (0.50) DRD2HTR1AHTR2ADRD3DRD1
SCHEMBL9344861 0.83 HTR1A (0.44) DRD2HTR1AHTR2ADRD3DRD1
SCHEMBL9346842 0.80 HRH3 (0.40) DRD2POLBNFE2L2ALDH1A1HRH3
SCHEMBL9344884 0.80 HRH3 (0.40) DRD2NFE2L2ALDH1A1HRH3HRH1
SCHEMBL9346897 0.80 HTR1A (0.39) DRD2HTR1AHTR2ADRD3ALDH1A1
SCHEMBL9349853 0.80 LMNA (0.42) DRD2HTR1AHTR2ADRD3POLB

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
US-5326870-A Asthma; bronchodilator agents; respiratory system disorders ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1994-07-05 US disclosed