SCHEMBL6977341

SCHEMBL6977341

NCCCCN1CCc2ccc(OS(=O)(=O)C(F)(F)F)cc2C1

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 20/20 0.61
DRD3 P35462 20/20 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
SCHEMBL7855496 0.86 HRH3 (0.47) DRD2DRD3
SCHEMBL6979867 0.84 PRMT5 (0.46) DRD2DRD3
SCHEMBL6981152 0.83 DRD3 (0.63) DRD2DRD3
SCHEMBL7853766 0.80 DRD3 (0.59) DRD2DRD3
SCHEMBL7853767 0.80 DRD3 (0.59) DRD2DRD3
SCHEMBL6975839 0.80 ABCB1 (0.55)
SCHEMBL7973100 0.80 ACACB (0.48) DRD2DRD3
SCHEMBL3654090 0.80 DRD2 (0.52) DRD2DRD3
SCHEMBL13580305 0.79 DRD2 (0.50) DRD2DRD3
SCHEMBL7851494 0.78 HTR7 (0.44) DRD2DRD3

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