SCHEMBL8970400

SCHEMBL8970400

O=S1(=O)c2cccc3cccc(c23)N1CCCCNCC1CCc2ccccc2O1

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 10/20 0.70
HTR1D P28221 5/20 0.47
HTR7 P34969 3/20 0.46
KDM4E B2RXH2 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
DRD2 P14416 1/20 0.44
HTR2A P28223 1/20 0.44
HTR6 P50406 1/20 0.44

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
SCHEMBL8970396 0.89 HTR1A (0.60) HTR1AHTR1D
SCHEMBL9379579 0.85 HTR7 (0.51) HTR1AHTR1DHTR7KDM4EHSD17B10
Hydrochloric Acid SCHEMBL8969706 0.84 HTR7 (0.51) HTR1AHTR1DHTR7KDM4EHSD17B10
Repinotan SCHEMBL1822211 0.82 HTR1A (1.00) HTR1AHTR1D
Repinotan SCHEMBL29376954 0.82 HTR1A (1.00) HTR1AHTR1D
Repinotan SCHEMBL678644 0.82 HTR1A (1.00) HTR1AHTR1D
Repinotan SCHEMBL29711567 0.81 HTR1A (0.98) HTR1AHTR1D
Repinotan SCHEMBL6325494 0.81 HTR1A (0.98) HTR1AHTR1D
Repinotan SCHEMBL6333948 0.81 HTR1A (0.98) HTR1AHTR1D
Repinotan SCHEMBL1649375 0.81 HTR1A (0.96) 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