SCHEMBL6979746

SCHEMBL6979746

N#Cc1ccc2c(c1)CN(CCCCNC(=O)c1ccc(-c3ccccc3)cc1)CC2

nearest known ligand 0.74

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 15/20 0.74
DRD2 P14416 13/20 0.74
DRD4 P21917 2/20 0.64
DRD1 P21728 1/20 0.64
TMEM97 Q5BJF2 1/20 0.63
OPRM1 P35372 1/20 0.57
HTR1D P28221 1/20 0.56
HTR1B P28222 1/20 0.56
CCR3 P51677 1/20 0.55
NAMPT P43490 1/20 0.54

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
SCHEMBL6978141 0.89 DRD3 (0.69) DRD3DRD2DRD4DRD1TMEM97
SCHEMBL6977353 0.88 DRD3 (0.63) DRD3DRD2DRD4DRD1TMEM97
SCHEMBL6977398 0.86 DRD3 (0.80) DRD3DRD2DRD4DRD1
SCHEMBL6979684 0.85 DRD3 (0.76) DRD3DRD2DRD4DRD1TMEM97
SCHEMBL6981235 0.85 DRD3 (0.65) DRD3DRD2DRD4DRD1TMEM97
SCHEMBL6979744 0.85 DRD3 (0.79) DRD3DRD2DRD4DRD1
SCHEMBL6981811 0.85 DRD3 (0.79) DRD3DRD2DRD4DRD1
SCHEMBL6976006 0.84 DRD3 (0.82) DRD3DRD2DRD4DRD1
SCHEMBL6980384 0.84 DRD3 (0.83) DRD3DRD2TMEM97
SCHEMBL6980585 0.83 DRD3 (0.77) 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 8 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
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