SCHEMBL7543110

SCHEMBL7543110

CCOc1ccc(OC)c2c1CCC(NC=O)C2

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 2/20 0.44
DRD2 P14416 5/20 0.42
DRD3 P35462 4/20 0.42
DRD4 P21917 3/20 0.42
MTNR1A P48039 6/20 0.42
MTNR1B P49286 6/20 0.42
CYP1A2 P05177 1/20 0.42
MAPT P10636 1/20 0.42
CYP2C9 P11712 1/20 0.42
ALOX15 P16050 1/20 0.42

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
SCHEMBL7540251 0.84 DRD2 (0.56) ADRA1ADRD2DRD3DRD4MTNR1A
Hydrochloric Acid SCHEMBL7541528 0.83 DRD2 (0.55) ADRA1ADRD2DRD3DRD4MTNR1A
SCHEMBL7544348 0.82 CYP1A2 (0.56) ADRA1ADRD2DRD3DRD4MTNR1A
SCHEMBL7541153 0.80 ADRA1A (0.41) ADRA1ADRD2DRD3DRD4MTNR1A
SCHEMBL22803028 0.76 MTNR1A (0.65) DRD2DRD3DRD4MTNR1AMTNR1B
SCHEMBL7540836 0.76 MTNR1A (0.65) DRD2DRD3DRD4MTNR1AMTNR1B
SCHEMBL7551749 0.75 ADRA1A (0.79) ADRA1ADRD2DRD3DRD4CYP1A2
SCHEMBL7548060 0.75 DRD2 (0.69) ADRA1ADRD2DRD3DRD4MTNR1A
SCHEMBL7544212 0.75 DRD2 (0.69) ADRA1ADRD2DRD3DRD4MTNR1A
Hydrochloric Acid SCHEMBL7541435 0.74 DRD2 (0.68) ADRA1ADRD2DRD3DRD4MTNR1A

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