SCHEMBL7543018

SCHEMBL7543018

COc1ccc(C=S)c2c1CC(N)CC2

nearest known ligand 0.71

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 4/20 0.71
DRD2 P14416 4/20 0.52
DRD3 P35462 4/20 0.52
CYP1A2 P05177 1/20 0.38
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
DRD4 P21917 2/20 0.35

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
SCHEMBL24734855 0.84 ADRA1A (1.00) ADRA1ADRD2DRD3CYP1A2HTR1D
Hydrochloric Acid SCHEMBL8669188 0.82 ADRA1A (0.96) ADRA1ADRD2DRD3CYP1A2HTR1D
Hydrochloric Acid SCHEMBL30861222 0.82 ADRA1A (0.96) ADRA1ADRD2DRD3CYP1A2HTR1D
Bromide SCHEMBL25243558 0.82 ADRA1A (0.96) ADRA1ADRD2DRD3CYP1A2HTR1D
SCHEMBL7540435 0.80 DRD2 (0.55) ADRA1ADRD2DRD3CYP1A2DRD4
Hydrochloric Acid SCHEMBL7543833 0.79 DRD2 (0.53) ADRA1ADRD2DRD3CYP1A2DRD4
SCHEMBL5793364 0.77 ADRA1A (0.78) ADRA1ADRD2DRD3CYP1A2HTR1D
SCHEMBL4217393 0.77 ADRA1A (0.78) ADRA1ADRD2DRD3CYP1A2
SCHEMBL7549300 0.77 ADRA1A (0.78) ADRA1ADRD2DRD3CYP1A2
SCHEMBL7541153 0.77 ADRA1A (0.41) ADRA1ADRD2DRD3CYP1A2DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0883599-B1 AMINOTETRALIN DERIVATIVES AND COMPOSITIONS AND METHOD OF USE THEREOF ASTRAZENECA AB (SE) 2002-06-05 EP disclosed
EP-0883599-A1 AMINOTETRALIN DERIVATIVES AND COMPOSITIONS AND METHOD OF USE THEREOF ZENECA LIMITED (GB) 1998-12-16 EP disclosed
US-5807897-A MUSCULAR DISORDERS ZENECA LIMITED (GB) 1998-09-15 US disclosed
WO-1997031887-A1 AMINOTETRALIN DERIVATIVES AND COMPOSITIONS AND METHOD OF USE THEREOF ZENECA LIMITED (GB) 1997-09-04 WO disclosed