SCHEMBL7548050

SCHEMBL7548050

CNC1CCc2c(c(OC)cc(Br)c2OC)C1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.49
DRD2 P14416 2/20 0.49
DRD4 P21917 2/20 0.49
DRD3 P35462 2/20 0.49
CYP1A2 P05177 1/20 0.37
ADRA1A P35348 1/20 0.36
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA4 P22748 2/20 0.34
CA6 P23280 2/20 0.34
POLB P06746 1/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
MEN1 O00255 1/20 0.33
TNF P01375 1/20 0.33
KMT2A Q03164 1/20 0.33
NOD2 Q9HC29 1/20 0.33
NOD1 Q9Y239 1/20 0.33

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
Hydrochloric Acid SCHEMBL7540742 0.99 HTR2A (0.48) HTR2ADRD2DRD4DRD3CYP1A2
Hydrochloric Acid SCHEMBL7547168 0.93 HTR2A (0.48) HTR2ADRD2DRD4DRD3CYP1A2
SCHEMBL7546623 0.84 HTR2A (0.45) HTR2ADRD2DRD4DRD3CYP1A2
SCHEMBL7544871 0.79 ADRA1A (0.59) HTR2ADRD2DRD3CYP1A2ADRA1A
SCHEMBL7543096 0.79 DRD2 (0.58) DRD2DRD4DRD3CYP1A2ADRA1A
SCHEMBL7542176 0.79 HTR2A (0.45) HTR2ADRD2DRD4DRD3CYP1A2
Hydrochloric Acid SCHEMBL7540811 0.78 DRD2 (0.57) DRD2DRD4DRD3CYP1A2ADRA1A
SCHEMBL7540827 0.77 DRD2 (0.67) DRD2DRD4DRD3CYP1A2ADRA1A
SCHEMBL30440801 0.77 DRD2 (0.67) DRD2DRD4DRD3CYP1A2ADRA1A
SCHEMBL7547852 0.77 DRD2 (0.67) DRD2DRD4DRD3CYP1A2ADRA1A

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 1 patent. 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 claimed