SCHEMBL7979148

SCHEMBL7979148

NCCCCN1CCc2cc(Br)ccc2C1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 2/20 0.49
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
SLC6A3 Q01959 1/20 0.47
DRD2 P14416 1/20 0.46
DRD3 P35462 1/20 0.46
PRMT5 O14744 3/20 0.45
HTR7 P34969 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.43
ABCB1 P08183 1/20 0.43
ACACB O00763 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
NCOR2 Q9Y618 1/20 0.42
MAPT P10636 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
SCHEMBL8052500 0.94 CARM1 (0.49) CARM1SLC6A2SLC6A4SLC6A3DRD2
SCHEMBL22675642 0.80 CARM1 (0.56) CARM1SLC6A2SLC6A4SLC6A3DRD2
SCHEMBL4229926 0.80 HTR7 (0.64) SLC6A4DRD2DRD3HTR7HDAC3
SCHEMBL7962844 0.79 ACACB (0.45) SLC6A4DRD2DRD3HTR7ABCB1
SCHEMBL7976739 0.79 DRD3 (0.74) SLC6A4DRD2DRD3PRMT5HTR7
SCHEMBL22541512 0.79 DRD3 (0.48) DRD2DRD3HTR7ABCB1
Hydrochloric Acid SCHEMBL4222983 0.78 HTR7 (0.62) SLC6A4DRD2DRD3HTR7L3MBTL1
SCHEMBL4225899 0.78 HTR7 (0.62) SLC6A4DRD2DRD3HTR7HDAC3
Hydrochloric Acid SCHEMBL4224319 0.78 HTR7 (0.62) SLC6A4DRD2DRD3HTR7L3MBTL1
SCHEMBL27921604 0.78 HTR7 (0.62) SLC6A4DRD2DRD3HTR7HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6274593-B1 TREATING PSYCHOLOGICAL DISORDERS, SCHIZOPHRENIA, AND PARKINSON*S DISEASE SMITHKLINE BEECHAM P.L.C. (GB) 2001-08-14 US disclosed
EP-0980357-A1 SUBSTITUTED TETRAHYDRO ISOQUINOLINES AS MODULATORS OF DOPAMINE D3 RECEPTORS SMITHKLINE BEECHAM PLC (GB) 2000-02-23 EP disclosed
WO-1998050363-A1 SUBSTITUTED TETRAHYDRO ISOQUINOLINES AS MODULATORS OF DOPAMINE D3 RECEPTORS SMITHKLINE BEECHAM PLC (GB) 1998-11-12 WO disclosed