SCHEMBL6975955

SCHEMBL6975955

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 20/20 1.00
DRD3 P35462 20/20 1.00
DRD1 P21728 1/20 0.62
DRD4 P21917 1/20 0.62

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
SCHEMBL7976699 0.96 DRD2 (0.93) DRD2DRD3DRD1DRD4
SCHEMBL6975930 0.93 DRD2 (1.00) DRD2DRD3DRD1DRD4
SCHEMBL6980906 0.93 DRD2 (1.00) DRD2DRD3DRD1DRD4
SCHEMBL6982260 0.92 DRD2 (0.86) DRD2DRD3
SCHEMBL6974331 0.92 DRD2 (0.88) DRD2DRD3DRD1DRD4
SCHEMBL6978276 0.92 DRD2 (0.85) DRD2DRD3DRD1DRD4
SCHEMBL6981199 0.92 DRD2 (0.84) DRD2DRD3
SCHEMBL6974793 0.92 DRD2 (0.85) DRD2DRD3DRD1DRD4
SCHEMBL6981017 0.92 DRD2 (0.84) DRD2DRD3DRD1DRD4
SCHEMBL6975224 0.91 DRD2 (0.84) DRD2DRD3DRD1DRD4

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 5 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
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