SCHEMBL6983214

SCHEMBL6983214

O=C(NCCCCN1CCc2ccc(OC(F)(F)F)cc2C1)C(F)(F)F

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 19/20 0.57
DRD3 P35462 19/20 0.57
PRMT5 O14744 1/20 0.49
WDR77 Q9BQA1 1/20 0.49

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
SCHEMBL7976536 0.96 DRD3 (0.52) DRD2DRD3PRMT5WDR77
SCHEMBL6984464 0.84 DRD3 (0.52) DRD2DRD3
SCHEMBL6981220 0.82 DRD3 (0.81) DRD2DRD3
SCHEMBL7843315 0.82 DRD3 (0.63) DRD2DRD3PRMT5WDR77
SCHEMBL7843695 0.82 DRD3 (0.61) DRD2DRD3
SCHEMBL7854476 0.81 DRD3 (0.58) DRD2DRD3
SCHEMBL7856243 0.81 DRD2 (0.53) DRD2DRD3
SCHEMBL8133764 0.80 DRD2 (0.56) DRD2DRD3
SCHEMBL8132675 0.80 DRD3 (0.62) DRD2DRD3
SCHEMBL8059024 0.80 DRD2 (0.56) DRD2DRD3

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 disclosed
US-6046210-A ANTIPSYCHOTIC AGENTS SMITHKLINE BEECHAM P.L.C. (GB) 2000-04-04 US disclosed
EP-0981516-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE DERIVATIVES AS MODULATORS OF DOPAMINE D?3 RECEPTORS SMITHKLINE BEECHAM PLC (GB) 2000-03-01 EP disclosed
EP-0917530-A1 TETRAHYDROISOQUINOLINE DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS SMITHKLINE BEECHAM PLC (GB) 1999-05-26 EP disclosed
WO-1998049145-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS SMITHKLINE BEECHAM PLC (GB) 1998-11-05 WO disclosed
WO-1997043262-A1 TETRAHYDROISOQUINOLINE DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS SMITHKLINE BEECHAM P.L.C. (GB) 1997-11-20 WO disclosed