SCHEMBL9635385

SCHEMBL9635385

O=S1(=O)c2cccc3cccc(c23)N1CCN1CCC(Cc2cc3cc(F)ccc3[nH]2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.49
ADRA2A P08913 1/20 0.49
DRD2 P14416 1/20 0.49
ADRA2B P18089 1/20 0.49
ADRA2C P18825 1/20 0.49
DRD4 P21917 1/20 0.49
HTR2A P28223 1/20 0.49
HTR2C P28335 1/20 0.49
SLC6A4 P31645 1/20 0.49
HTR7 P34969 1/20 0.49
ADRA1A P35348 1/20 0.49
HRH1 P35367 1/20 0.49
ADRA1B P35368 1/20 0.49
DRD3 P35462 1/20 0.49
OPRK1 P41145 1/20 0.49
HTR5A P47898 1/20 0.49
HTR6 P50406 1/20 0.49
SLC6A3 Q01959 1/20 0.49
KCNH2 Q12809 1/20 0.49
TMEM97 Q5BJF2 1/20 0.49

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
SCHEMBL9635346 0.83
SCHEMBL9636882 0.82
SCHEMBL9635458 0.79 HTR1A (0.49) HTR1AADRA2ADRD2ADRA2BADRA2C
SCHEMBL9636836 0.79
SCHEMBL9636954 0.78 HTR1A (0.49) HTR1AADRA2ADRD2ADRA2BADRA2C
SCHEMBL9635471 0.78
SCHEMBL9635393 0.77 ACHE (0.45)
SCHEMBL9635344 0.77 HTR1A (0.49) HTR1AADRA2ADRD2ADRA2BADRA2C
SCHEMBL9636846 0.76 HTR1A (0.49) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL9635479 0.76

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-5114949-A Treating disorders associated with 5HT uptake RHONE-POULENC SANTE (FR) 1992-05-19 US disclosed