SCHEMBL6980384

SCHEMBL6980384

N#Cc1ccc(-c2ccc(C(=O)NCCCCN3CCc4ccc(OS(=O)(=O)C(F)(F)F)cc4C3)cc2)cc1

nearest known ligand 0.83

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 20/20 0.83
DRD2 P14416 18/20 0.83
TMEM97 Q5BJF2 1/20 0.59

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
SCHEMBL6976006 0.93 DRD3 (0.82) DRD3DRD2
SCHEMBL8131023 0.91 DRD3 (0.79) DRD3DRD2TMEM97
SCHEMBL6975955 0.91 DRD2 (1.00) DRD3DRD2
SCHEMBL6975930 0.89 DRD2 (1.00) DRD3DRD2
SCHEMBL6980906 0.89 DRD2 (1.00) DRD3DRD2
SCHEMBL6982260 0.89 DRD2 (0.86) DRD3DRD2
SCHEMBL6974793 0.88 DRD2 (0.85) DRD3DRD2
SCHEMBL6981017 0.88 DRD2 (0.84) DRD3DRD2
SCHEMBL6979684 0.88 DRD3 (0.76) DRD3DRD2TMEM97
SCHEMBL7976699 0.88 DRD2 (0.93) DRD3DRD2

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