SCHEMBL8970453

SCHEMBL8970453

COc1cccc2c1OC(CNCCCCN1C(=O)c3ccccc3S1(O)O)CC2

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 8/20 0.59
HTR1D P28221 1/20 0.48
DRD2 P14416 3/20 0.39
DRD4 P21917 1/20 0.39
DRD5 P21918 1/20 0.39
DRD3 P35462 1/20 0.39
HTR2A P28223 2/20 0.38
HTR7 P34969 2/20 0.38
HTR6 P50406 2/20 0.38
ACHE P22303 1/20 0.38

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
SCHEMBL7858439 0.91 HTR1A (0.57) HTR1AHTR1DACHE
SCHEMBL8970224 0.91 HTR1A (0.72) HTR1AHTR1DDRD2DRD4DRD5
Hydrochloric Acid SCHEMBL8475126 0.91 HTR1A (0.56) HTR1AHTR1DACHE
SCHEMBL8971009 0.89 HTR1A (0.61) HTR1ADRD2DRD4DRD5DRD3
Oxalic Acid SCHEMBL8472725 0.89 HTR1A (0.54) HTR1AHTR1DDRD2DRD4DRD5
SCHEMBL7837327 0.84 HTR1A (0.81) HTR1AHTR1D
SCHEMBL8996726 0.84 HTR1A (0.49) HTR1ADRD2DRD4DRD5DRD3
Hydrochloric Acid SCHEMBL7841791 0.84 HTR1A (0.80) HTR1AHTR1D
SCHEMBL9380662 0.84 HTR1A (0.59) HTR1AHTR1DDRD2DRD4DRD5
SCHEMBL9385765 0.83 HTR1A (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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5506246-A Method for treating depression using substituted aminomethyltetralins and their heterocyclic analogues BAYER AKTIENGESELLSCHAFT (DE) 1996-04-09 US claimed
EP-0352613-B1 Substituted amino methyl tetralines, and their heterocyclic analogous compounds BAYER AG (DE) 1994-04-20 EP claimed
EP-0545120-A2 Combination of 5-HT2-receptor antagonists and 5-HT1A-receptor agonists with neuroprotective effect Troponwerke GmbH & Co. KG (DE) 1993-06-09 EP claimed
US-5137901-A For binding 5-HT 1 receptors; treating central nervous system disorders BAYER AKTIENGESELLSCHAFT (DE) 1992-08-11 US claimed
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-0545120-A2 Combination of 5-HT2-receptor antagonists and 5-HT1A-receptor agonists with neuroprotective effect Troponwerke GmbH & Co. KG (DE) 1993-06-09 EP disclosed
US-5137901-A For binding 5-HT 1 receptors; treating central nervous system disorders BAYER AKTIENGESELLSCHAFT (DE) 1992-08-11 US disclosed
EP-0352613-A2 Substituted amino methyl tetralines, and their heterocyclic analogous compounds BAYER AG (DE) 1990-01-31 EP disclosed