SCHEMBL6977398

SCHEMBL6977398

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

nearest known ligand 0.80

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 16/20 0.80
DRD2 P14416 14/20 0.80
DRD4 P21917 5/20 0.70
DRD1 P21728 2/20 0.70
SLC6A5 Q9Y345 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
SCHEMBL7976552 0.96 DRD3 (0.80) DRD3DRD2DRD4DRD1
SCHEMBL6976591 0.91 DRD3 (0.70) DRD3DRD2DRD4DRD1
SCHEMBL6981811 0.89 DRD3 (0.79) DRD3DRD2DRD4DRD1
SCHEMBL6979744 0.89 DRD3 (0.79) DRD3DRD2DRD4DRD1
SCHEMBL6978141 0.88 DRD3 (0.69) DRD3DRD2DRD4DRD1
SCHEMBL6977353 0.88 DRD3 (0.63) DRD3DRD2DRD4DRD1
SCHEMBL6980585 0.86 DRD3 (0.77) DRD3DRD2DRD4DRD1
SCHEMBL6979746 0.86 DRD3 (0.74) DRD3DRD2DRD4DRD1
SCHEMBL6975459 0.84 DRD3 (0.82) DRD3DRD2DRD4DRD1
SCHEMBL6975799 0.84 DRD3 (0.71) 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-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