SCHEMBL8970396

SCHEMBL8970396

OS1(O)c2cccc3cccc(c23)N1CCCCNCC1CCc2ccccc2O1

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 16/20 0.60
HTR1D P28221 12/20 0.47

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
SCHEMBL8970400 0.89 HTR1A (0.70) HTR1AHTR1D
SCHEMBL7837327 0.81 HTR1A (0.81) HTR1AHTR1D
Hydrochloric Acid SCHEMBL7841791 0.81 HTR1A (0.80) HTR1AHTR1D
SCHEMBL9380238 0.79 HTR1A (0.60) HTR1AHTR1D
SCHEMBL9380234 0.75 HTR1A (0.68) HTR1AHTR1D
Repinotan SCHEMBL1822211 0.75 HTR1A (1.00) HTR1AHTR1D
Repinotan SCHEMBL29376954 0.75 HTR1A (1.00) HTR1AHTR1D
Repinotan SCHEMBL678644 0.75 HTR1A (1.00) HTR1AHTR1D
Hydrochloric Acid SCHEMBL8970662 0.74 HTR1A (0.67) HTR1AHTR1D
SCHEMBL9379579 0.74 HTR7 (0.51) HTR1AHTR1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5585392-A TREATING OR PREVENTING STROKES BAYER AKTIENGESELLSCHAFT (DE) 1996-12-17 US disclosed
US-5506246-A Method for treating depression using substituted aminomethyltetralins and their heterocyclic analogues BAYER AKTIENGESELLSCHAFT (DE) 1996-04-09 US disclosed
EP-0352613-B1 Substituted amino methyl tetralines, and their heterocyclic analogous compounds BAYER AG (DE) 1994-04-20 EP disclosed
US-5300523-A Binding serotonin receptors, treating nervous system disorders BAYER AKTIENGESELLSCHAFT (DE) 1994-04-05 US disclosed
EP-0352613-A2 Substituted amino methyl tetralines, and their heterocyclic analogous compounds BAYER AG (DE) 1990-01-31 EP disclosed