SCHEMBL9757237

SCHEMBL9757237

O=S1(=O)c2cccc3c(Cl)cc(Cl)c(c23)N1CCCC1CC(c2ccccc2)=CCN1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.34
DRD2 P14416 4/20 0.34
HTR2A P28223 4/20 0.34
HTR7 P34969 4/20 0.34
HTR6 P50406 4/20 0.34
CA12 O43570 2/20 0.30
CA9 Q16790 2/20 0.30
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
RAB9A P51151 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL9757622 0.86 HTR7 (0.40) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL9757411 0.79 HTR7 (0.36) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL9873403 0.77 PARP1 (0.48)
SCHEMBL9757358 0.76 HTR7 (0.41) HTR1ADRD2HTR2AHTR7HTR6
Hydrochloric Acid SCHEMBL9757172 0.76 HTR7 (0.40) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL9757270 0.75 HTR7 (0.51) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL9757507 0.75 TP53 (0.35) HTR7NPC1ALDH1A1
SCHEMBL9757401 0.74 HTR1A (0.38) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL9757373 0.72 HTR7 (0.52) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL7017660 0.65 PARP1 (0.60)

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-5036075-A Serotonin antagonists RHONE-POULENC SANTE (FR) 1991-07-30 US disclosed