SCHEMBL9636870

SCHEMBL9636870

O=S1(=O)c2cccc3cccc(c23)N1CCN1CCC(CC2CNc3ccccc3C2)CC1

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 5/20 0.46
HTR1A P08908 2/20 0.46
DRD2 P14416 2/20 0.46
HTR2A P28223 2/20 0.46
HTR6 P50406 2/20 0.46

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
SCHEMBL9636997 0.89 HTR7 (0.53) HTR7HTR1ADRD2HTR2AHTR6
SCHEMBL9636903 0.82 HTR7 (0.46) HTR7HTR1ADRD2HTR2AHTR6
SCHEMBL9635270 0.79 HTR7 (0.48) HTR7HTR1ADRD2HTR2AHTR6
SCHEMBL9635344 0.77 HTR1A (0.49) HTR7HTR1ADRD2HTR2AHTR6
SCHEMBL9636951 0.76 ACHE (0.55) HTR7HTR1ADRD2HTR2AHTR6
SCHEMBL9636871 0.76 HTR7 (0.49) HTR7HTR1ADRD2HTR2AHTR6
SCHEMBL9635409 0.73 HTR7 (0.54) HTR7HTR1ADRD2HTR2AHTR6
SCHEMBL9635366 0.72
SCHEMBL9635472 0.72 HTR7 (0.52) HTR7HTR1ADRD2HTR2AHTR6
SCHEMBL9635370 0.70 HTR7 (0.55) 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 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