SCHEMBL6981152

SCHEMBL6981152

O=C1c2ccccc2C(=O)N1CCCCN1CCc2ccc(OS(=O)(=O)C(F)(F)F)cc2C1

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 18/20 0.63
HTR1A P08908 1/20 0.63
HTR7 P34969 1/20 0.63
DRD2 P14416 17/20 0.61

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
SCHEMBL7853767 0.97 DRD3 (0.59) DRD3HTR1AHTR7DRD2
SCHEMBL7853766 0.97 DRD3 (0.59) DRD3HTR1AHTR7DRD2
SCHEMBL7853889 0.88 DRD3 (0.65) DRD3HTR1AHTR7DRD2
SCHEMBL7852595 0.88 DRD3 (0.65) DRD3HTR1AHTR7DRD2
SCHEMBL6974327 0.84 HTR1A (0.70) DRD3HTR1AHTR7
SCHEMBL6977341 0.83 DRD2 (0.61) DRD3DRD2
SCHEMBL7855498 0.82 DRD3 (0.57) DRD3HTR1AHTR7DRD2
SCHEMBL8041214 0.80 DRD3 (0.55) DRD3HTR1AHTR7DRD2
SCHEMBL7983132 0.78 HTR7 (1.00) DRD3HTR1AHTR7
SCHEMBL6974786 0.78 HTR1A (0.74) DRD3HTR1AHTR7DRD2

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 10 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 disclosed
EP-0922035-B1 TETRAHYDROISOQUINOLINE DERIVATIVES AND THEIR PHARMACEUTICAL USE SMITHKLINE BEECHAM PLC (GB) 2001-02-07 EP disclosed
US-6143762-A DRUGS AS DOPAMINE ANTAGONIST PSYCHOLOGICAL DISORDERS SMITHKLINE BEECHAM, PLC (GB) 2000-11-07 US disclosed
US-6046210-A ANTIPSYCHOTIC AGENTS SMITHKLINE BEECHAM P.L.C. (GB) 2000-04-04 US disclosed
EP-0981516-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE DERIVATIVES AS MODULATORS OF DOPAMINE D?3 RECEPTORS SMITHKLINE BEECHAM PLC (GB) 2000-03-01 EP disclosed
EP-0922035-A1 TETRAHYDROISOQUINOLINE DERIVATIVES AND THEIR PHARMACEUTICAL USE SMITHKLINE BEECHAM PLC (GB) 1999-06-16 EP disclosed
EP-0917530-A1 TETRAHYDROISOQUINOLINE DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS SMITHKLINE BEECHAM PLC (GB) 1999-05-26 EP disclosed
WO-1998049145-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS SMITHKLINE BEECHAM PLC (GB) 1998-11-05 WO disclosed
WO-1998006699-A1 TETRAHYDROISOQUINOLINE DERIVATIVES AND THEIR PHARMACEUTICAL USE SMITHKLINE BEECHAM PLC (GB) 1998-02-19 WO disclosed
WO-1997043262-A1 TETRAHYDROISOQUINOLINE DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS SMITHKLINE BEECHAM P.L.C. (GB) 1997-11-20 WO disclosed