SCHEMBL6981220

SCHEMBL6981220

CC(=O)c1ccc(-c2ccc(C(=O)NCCCCN3CCc4ccc(OC(F)(F)F)cc4C3)cc2)cc1

nearest known ligand 0.81

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 19/20 0.81
DRD2 P14416 13/20 0.81
DRD4 P21917 6/20 0.56
DRD1 P21728 3/20 0.56

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
SCHEMBL7976687 0.96 DRD3 (0.76) DRD3DRD2DRD4DRD1
SCHEMBL8138017 0.92 DRD3 (0.78) DRD3DRD2DRD4DRD1
SCHEMBL8138022 0.90 DRD3 (0.79) DRD3DRD2DRD4DRD1
SCHEMBL6980906 0.90 DRD2 (1.00) DRD3DRD2DRD4DRD1
SCHEMBL6978647 0.89 DRD3 (0.78) DRD3DRD2DRD4DRD1
SCHEMBL6979709 0.87 DRD3 (0.75) DRD3DRD2DRD4DRD1
SCHEMBL8138026 0.87 DRD3 (0.75) DRD3DRD2DRD4DRD1
SCHEMBL6976591 0.84 DRD3 (0.70) DRD3DRD2DRD4DRD1
SCHEMBL6974331 0.84 DRD2 (0.88) DRD3DRD2DRD4DRD1
SCHEMBL6975930 0.83 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
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