SCHEMBL8970394

SCHEMBL8970394

COc1cccc2c1CC(CN(CCCCN1C(=O)c3ccccc3S1(O)O)CCCCN1C(=O)c3ccccc3S1(O)O)CC2

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.45
DRD2 P14416 4/20 0.41
DRD4 P21917 1/20 0.41
DRD5 P21918 1/20 0.41
DRD3 P35462 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
HTR2A P28223 3/20 0.41
HTR7 P34969 3/20 0.41
HTR6 P50406 2/20 0.41
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
DRD1 P21728 1/20 0.39
HTR1B P28222 1/20 0.39

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
SCHEMBL8996726 0.85 HTR1A (0.49) HTR1ADRD2DRD4DRD5DRD3
SCHEMBL8970423 0.84 HTR1A (0.53) HTR1ADRD2DRD4DRD5DRD3
SCHEMBL8971218 0.77 HTR1A (0.59) HTR1ADRD2DRD4DRD5DRD3
SCHEMBL9286203 0.75 HTR1A (0.54) HTR1ADRD2DRD4DRD5DRD3
SCHEMBL7935857 0.74 HTR1A (0.57) HTR1ADRD2DRD4DRD5DRD3
SCHEMBL7926512 0.73 HTR1A (0.56) HTR1ADRD2DRD4DRD5DRD3
Hydrochloric Acid SCHEMBL9243980 0.73 HTR1A (0.56) HTR1ADRD2DRD4DRD5DRD3
Hydrochloric Acid SCHEMBL9532135 0.73 HTR1A (0.55) HTR1ADRD2DRD4DRD5DRD3
Hydrochloric Acid SCHEMBL9242018 0.73 HTR1A (0.55) HTR1ADRD2DRD4DRD5DRD3
SCHEMBL8970453 0.72 HTR1A (0.59) HTR1ADRD2DRD4DRD5DRD3

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