SCHEMBL9669919

SCHEMBL9669919

O=S1(=O)c2cccc3cccc(c23)N1CCCCN1CCC(Oc2ccc3ccccc3c2)C1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HTR7 P34969 11/20 0.55
▸ HTR1A P08908 6/20 0.52
▸ DRD2 P14416 6/20 0.52
▸ HTR2A P28223 6/20 0.52
▸ HTR6 P50406 6/20 0.52

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
SCHEMBL9131045 0.85 HTR7 (0.58) HTR7HTR1ADRD2HTR2AHTR6
SCHEMBL9132098 0.84 HTR7 (0.67) HTR7HTR1ADRD2HTR2AHTR6
SCHEMBL9134836 0.84 DRD2 (0.52) HTR7HTR1ADRD2HTR2AHTR6
SCHEMBL9132141 0.83 DRD2 (0.53) HTR7HTR1ADRD2HTR2AHTR6
SCHEMBL9134164 0.83 HTR7 (0.55) HTR7HTR1ADRD2HTR2AHTR6
SCHEMBL9132055 0.82 HTR7 (0.65) HTR7HTR1ADRD2HTR2AHTR6
SCHEMBL9131309 0.82 HTR1A (0.51) HTR7HTR1ADRD2HTR2AHTR6
SCHEMBL9131067 0.79 HTR7 (0.50) HTR7HTR1ADRD2HTR2AHTR6
SCHEMBL9134839 0.78 ADRA1D (0.42) HTR7HTR1ADRD2HTR2AHTR6
SCHEMBL9131080 0.78 HTR7 (0.59) 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
EP-0338331-B1 1,3 DISUBSTITUTED PYRROLIDINES BAYER AG (DE) 1992-10-21 — — EP disclosed
EP-0338331-A1 1,3 Disubstituted Pyrrolidines BAYER AG (DE) 1989-10-25 — — EP disclosed
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