SCHEMBL5809102

SCHEMBL5809102

COc1ccc(S(=O)(=O)N2CCCC2CCN2CCC(C)CC2)cc1OC

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR7 P34969 18/20 0.73
▸ TMEM97 Q5BJF2 2/20 0.73
▸ SIGMAR1 Q99720 1/20 0.73
▸ HTR1B P28222 5/20 0.70
▸ DRD3 P35462 5/20 0.70
▸ HTR1A P08908 4/20 0.70
▸ DRD2 P14416 4/20 0.70
▸ HTR1D P28221 4/20 0.70
▸ HTR1E P28566 1/20 0.70
▸ ADRA1B P35368 1/20 0.70
▸ HTR6 P50406 2/20 0.66
▸ CYP2D6 P10635 2/20 0.66
▸ HTR5A P47898 2/20 0.66
▸ CYP3A4 P08684 1/20 0.66
▸ CYP1A2 P05177 1/20 0.66
▸ HTR2B P41595 1/20 0.66
▸ HTR4 Q13639 1/20 0.66
▸ ADRA2A P08913 1/20 0.65
▸ ADRA2B P18089 1/20 0.65
▸ ADRA2C P18825 1/20 0.65

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
SCHEMBL5805272 0.83 HCRTR1 (0.55) HTR7TMEM97SIGMAR1HTR1BDRD3
SCHEMBL5808155 0.81 CASP3 (0.52) HTR7TMEM97SIGMAR1HTR1BDRD3
SCHEMBL14117920 0.81 HTR7 (0.77) HTR7TMEM97SIGMAR1HTR1BDRD3
Sb-258741 SCHEMBL4454954 0.81 HTR7 (1.00) HTR7TMEM97SIGMAR1HTR1BDRD3
Sb-258741 SCHEMBL4459020 0.81 HTR7 (1.00) HTR7TMEM97SIGMAR1HTR1BDRD3
Hydrochloric Acid SCHEMBL14893193 0.80 HTR7 (0.77) HTR7TMEM97SIGMAR1HTR1BDRD3
SCHEMBL5809435 0.80 HTR7 (0.78) HTR7TMEM97SIGMAR1HTR1BDRD3
SCHEMBL4298542 0.80 HTR7 (1.00) HTR7TMEM97SIGMAR1HTR1BDRD3
SCHEMBL375475 0.80 HTR7 (1.00) HTR7TMEM97SIGMAR1HTR1BDRD3
SCHEMBL375474 0.80 HTR7 (1.00) HTR7TMEM97SIGMAR1HTR1BDRD3

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-2006101828-A1 INSECTICIDAL ALKYLAMINO PHENYL SULFONAMIDE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2006-09-28 — — WO disclosed
Send feedback