SCHEMBL8719935

SCHEMBL8719935

CCCN(CCC)CCN1C(=O)Cc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 16/20 0.50
HTR1A P08908 6/20 0.48
DRD2 P14416 5/20 0.47
DRD3 P35462 4/20 0.47
DRD5 P21918 3/20 0.47
SLC6A4 P31645 1/20 0.47
HRH1 P35367 1/20 0.47
DRD4 P21917 2/20 0.46
CHRM2 P08172 1/20 0.45
CHRM4 P08173 1/20 0.45
CHRM5 P08912 1/20 0.45
CHRM1 P11229 1/20 0.45
CHRM3 P20309 1/20 0.45

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 SCHEMBL1821160 0.99 HTR7 (0.49) HTR7HTR1ADRD2DRD3DRD5
SCHEMBL8240109 0.84 HTR7 (0.57) HTR7HTR1ADRD2DRD3DRD5
SCHEMBL6704468 0.83 HRH1 (0.61) HTR7HTR1ADRD2DRD3DRD5
SCHEMBL7476444 0.81 DRD2 (0.63) HTR7HTR1ADRD2DRD3DRD5
SCHEMBL2491730 0.80 HTR7 (0.62) HTR7HTR1ADRD2DRD3DRD5
SCHEMBL23339326 0.79 HTR7 (0.63) HTR7HTR1ADRD2DRD3DRD5
SCHEMBL15396975 0.79 HTR7 (0.63) HTR7HTR1ADRD2DRD3DRD5
SCHEMBL29612136 0.78 HTR7 (0.57) HTR7HTR1ADRD2DRD3DRD5
SCHEMBL1232169 0.78 HTR7 (0.57) HTR7HTR1ADRD2DRD3DRD5
SCHEMBL12682781 0.78 HTR7 (0.68) HTR7HTR1ADRD2DRD3DRD5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1649614-A Active agent delivery systems and methods for protecting and administering active agents NEW RIVER PARMACEUTICALS INC (US) 2005-08-03 CN disclosed
US-5807570-A DOPAMINE AGONIST CYGNUS, INC. (US) 1998-09-15 US disclosed