SCHEMBL6977353

SCHEMBL6977353

N#Cc1cccc(-c2ccc(C(=O)NCCCCN3CCc4ccc(O)cc4C3)cc2)c1

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 19/20 0.63
DRD2 P14416 13/20 0.63
TMEM97 Q5BJF2 1/20 0.58
DRD4 P21917 7/20 0.57
DRD1 P21728 3/20 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
SCHEMBL6978141 0.92 DRD3 (0.69) DRD3DRD2TMEM97DRD4DRD1
SCHEMBL6981235 0.88 DRD3 (0.65) DRD3DRD2TMEM97DRD4DRD1
SCHEMBL6979746 0.88 DRD3 (0.74) DRD3DRD2TMEM97DRD4DRD1
SCHEMBL6977398 0.88 DRD3 (0.80) DRD3DRD2DRD4DRD1
SCHEMBL6976006 0.85 DRD3 (0.82) DRD3DRD2DRD4DRD1
SCHEMBL7976552 0.84 DRD3 (0.80) DRD3DRD2DRD4DRD1
SCHEMBL6976591 0.84 DRD3 (0.70) DRD3DRD2TMEM97DRD4DRD1
SCHEMBL14005954 0.81 DRD3 (0.63) DRD3DRD2DRD4
SCHEMBL8131023 0.80 DRD3 (0.79) DRD3DRD2TMEM97DRD4DRD1
SCHEMBL6979684 0.80 DRD3 (0.76) DRD3DRD2TMEM97DRD4DRD1

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