SCHEMBL6979686

SCHEMBL6979686

O=C(NCCCCN1CCc2ccc(OS(=O)(=O)c3ccsc3)cc2C1)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 18/20 0.73
DRD2 P14416 17/20 0.73
DRD4 P21917 2/20 0.57
DRD1 P21728 1/20 0.57

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
SCHEMBL6980617 0.87 DRD3 (0.74) DRD3DRD2DRD4DRD1
SCHEMBL6980275 0.85 DRD3 (0.72) DRD3DRD2DRD4DRD1
SCHEMBL6975459 0.85 DRD3 (0.82) DRD3DRD2DRD4DRD1
SCHEMBL6975110 0.85 DRD3 (0.82) DRD3DRD2
SCHEMBL6975955 0.84 DRD2 (1.00) DRD3DRD2DRD4DRD1
SCHEMBL6980585 0.82 DRD3 (0.77) DRD3DRD2DRD4DRD1
SCHEMBL6981259 0.82 DRD3 (0.72) DRD3DRD2DRD4DRD1
SCHEMBL7976699 0.81 DRD2 (0.93) DRD3DRD2DRD4DRD1
SCHEMBL6982260 0.79 DRD2 (0.86) DRD3DRD2
SCHEMBL7962865 0.79 DRD3 (0.74) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0917530-B1 TETRAHYDROISOQUINOLINE DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS SMITHKLINE BEECHAM PLC (GB) 2003-02-19 EP claimed
US-6046210-A ANTIPSYCHOTIC AGENTS SMITHKLINE BEECHAM P.L.C. (GB) 2000-04-04 US claimed
EP-0917530-A1 TETRAHYDROISOQUINOLINE DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS SMITHKLINE BEECHAM PLC (GB) 1999-05-26 EP claimed
WO-1997043262-A1 TETRAHYDROISOQUINOLINE DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS SMITHKLINE BEECHAM P.L.C. (GB) 1997-11-20 WO claimed
EP-0917530-B1 TETRAHYDROISOQUINOLINE DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS SMITHKLINE BEECHAM PLC (GB) 2003-02-19 EP disclosed
US-6046210-A ANTIPSYCHOTIC AGENTS SMITHKLINE BEECHAM P.L.C. (GB) 2000-04-04 US disclosed
EP-0917530-A1 TETRAHYDROISOQUINOLINE DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS SMITHKLINE BEECHAM PLC (GB) 1999-05-26 EP disclosed
WO-1997043262-A1 TETRAHYDROISOQUINOLINE DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS SMITHKLINE BEECHAM P.L.C. (GB) 1997-11-20 WO disclosed