SCHEMBL7962865

SCHEMBL7962865

COc1ccc2c(c1)CCN(CCCCNC(=O)c1ccc(-c3ccccc3)cc1)C2

nearest known ligand 0.74

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 16/20 0.74
DRD2 P14416 11/20 0.74
DRD4 P21917 6/20 0.74
DRD1 P21728 3/20 0.74

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
SCHEMBL6980585 0.96 DRD3 (0.77) DRD3DRD2DRD4DRD1
SCHEMBL6978647 0.89 DRD3 (0.78) DRD3DRD2DRD4DRD1
SCHEMBL7976699 0.87 DRD2 (0.93) DRD3DRD2DRD4DRD1
SCHEMBL7976552 0.86 DRD3 (0.80) DRD3DRD2DRD4DRD1
SCHEMBL6975459 0.86 DRD3 (0.82) DRD3DRD2DRD4DRD1
SCHEMBL6979684 0.85 DRD3 (0.76) DRD3DRD2DRD4DRD1
SCHEMBL6981235 0.85 DRD3 (0.65) DRD3DRD2DRD4DRD1
SCHEMBL6981058 0.84 DRD3 (0.62) DRD3DRD2DRD4DRD1
SCHEMBL6981194 0.84 DRD3 (0.62) DRD3DRD2DRD4DRD1
SCHEMBL6975955 0.84 DRD2 (1.00) DRD3DRD2DRD4DRD1

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 6 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 claimed
EP-0980357-A1 SUBSTITUTED TETRAHYDRO ISOQUINOLINES AS MODULATORS OF DOPAMINE D3 RECEPTORS SMITHKLINE BEECHAM PLC (GB) 2000-02-23 EP claimed
WO-1998050363-A1 SUBSTITUTED TETRAHYDRO ISOQUINOLINES AS MODULATORS OF DOPAMINE D3 RECEPTORS SMITHKLINE BEECHAM PLC (GB) 1998-11-12 WO claimed
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