SCHEMBL9757310

SCHEMBL9757310

O=[N+]([O-])c1ccc(N2CCN(CCCN3c4cccc5cccc(c45)S3(=O)=O)CC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 6/20 0.74
HTR1A P08908 4/20 0.74
DRD2 P14416 4/20 0.74
HTR2A P28223 4/20 0.74
HTR6 P50406 4/20 0.74
ADRA2A P08913 1/20 0.74
ADRA2B P18089 1/20 0.74
ADRA2C P18825 1/20 0.74
DRD4 P21917 1/20 0.74
HTR2C P28335 1/20 0.74
SLC6A4 P31645 1/20 0.74
ADRA1A P35348 1/20 0.74
HRH1 P35367 1/20 0.74
ADRA1B P35368 1/20 0.74
DRD3 P35462 1/20 0.74
OPRK1 P41145 1/20 0.74
HTR5A P47898 1/20 0.74
SLC6A3 Q01959 1/20 0.74
KCNH2 Q12809 1/20 0.74
TMEM97 Q5BJF2 1/20 0.74

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
SCHEMBL9757519 0.86 HTR7 (0.95) HTR7HTR1ADRD2HTR2AHTR6
Fananserin SCHEMBL340722 0.85 HTR7 (1.00) HTR7HTR1ADRD2HTR2AHTR6
SCHEMBL9757313 0.85 HTR7 (0.80) HTR7HTR1ADRD2HTR2AHTR6
SCHEMBL9757611 0.85 HTR7 (0.80) HTR7HTR1ADRD2HTR2AHTR6
SCHEMBL9757186 0.85 HTR7 (0.80) HTR7HTR1ADRD2HTR2AHTR6
Fananserin SCHEMBL5779774 0.85 HTR7 (1.00) HTR7HTR1ADRD2HTR2AHTR6
SCHEMBL9757451 0.85 HTR7 (0.92) HTR7HTR1ADRD2HTR2AHTR6
SCHEMBL9757255 0.85 HTR7 (0.80) HTR7HTR1ADRD2HTR2AHTR6
SCHEMBL9757246 0.83 HTR7 (0.82) HTR7HTR1ADRD2HTR2AHTR6
SCHEMBL9757266 0.80 HTR7 (0.81) HTR7HTR1ADRD2HTR2AHTR6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5036075-A Serotonin antagonists RHONE-POULENC SANTE (FR) 1991-07-30 US disclosed
US-5021420-A Antiserotonine agents; central nervous system, gastroin-testinal and cardiovascular disorders RHONE-POULENC SANTE (FR) 1991-06-04 US disclosed