SCHEMBL8969531

SCHEMBL8969531

COc1cccc2c1CC(CNCCCCN1c3cccc4cccc(c34)S1(=O)=O)CC2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 6/20 0.55
HTR1A P08908 2/20 0.47
DRD2 P14416 2/20 0.47
HTR2A P28223 2/20 0.47
HTR6 P50406 2/20 0.47
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45
ALDH1A1 P00352 2/20 0.44
LMNA P02545 2/20 0.44
POLB P06746 1/20 0.44
GAA P10253 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
SCHEMBL8971218 0.84 HTR1A (0.59) HTR7HTR1ADRD2HTR2AHTR6
SCHEMBL9379579 0.83 HTR7 (0.51) HTR7HTR1ADRD2HTR2AHTR6
SCHEMBL8970653 0.83 HTR1A (0.41) HTR7HTR1ADRD2HTR2AHTR6
Hydrochloric Acid SCHEMBL8969706 0.83 HTR7 (0.51) HTR7HTR1ADRD2HTR2AHTR6
SCHEMBL9382674 0.81 CHRM2 (0.45) HTR1ADRD2HTR2AMAPTCHRM2
SCHEMBL8996726 0.79 HTR1A (0.49) HTR7HTR1ADRD2HTR2AHTR6
SCHEMBL8970658 0.78 MTNR1A (0.39) HTR1ADRD2HTR2AMAPTCHRM2
SCHEMBL9286203 0.76 HTR1A (0.54) HTR7HTR1ADRD2HTR2AHTR6
SCHEMBL9382677 0.76 ADRA1D (0.42) HTR1ADRD2HTR2AMAPTCHRM2
SCHEMBL8970400 0.76 HTR1A (0.70) 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 6 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
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