SCHEMBL7976536

SCHEMBL7976536

O=C(NCCCCN1CCc2cc(OC(F)(F)F)ccc2C1)C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 17/20 0.52
DRD2 P14416 16/20 0.52
ACACB O00763 1/20 0.51
PRMT5 O14744 1/20 0.49
WDR77 Q9BQA1 1/20 0.49
DRD4 P21917 1/20 0.47
BCHE P06276 1/20 0.46

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
SCHEMBL6983214 0.96 DRD2 (0.57) DRD3DRD2PRMT5WDR77
SCHEMBL7979139 0.84 DRD3 (0.49) DRD3DRD2ACACBDRD4
SCHEMBL7976693 0.84 DRD3 (0.51) DRD3DRD2DRD4
SCHEMBL7976687 0.82 DRD3 (0.76) DRD3DRD2DRD4
SCHEMBL7843315 0.82 DRD3 (0.63) DRD3DRD2PRMT5WDR77
SCHEMBL7962824 0.81 DRD3 (0.58) DRD3DRD2DRD4
SCHEMBL7973100 0.80 ACACB (0.48) DRD3DRD2ACACBPRMT5WDR77
SCHEMBL6984464 0.80 DRD3 (0.52) DRD3DRD2DRD4
SCHEMBL7962861 0.80 DRD2 (0.77) DRD3DRD2
SCHEMBL7962862 0.80 DRD2 (0.77) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6274593-B1 TREATING PSYCHOLOGICAL DISORDERS, SCHIZOPHRENIA, AND PARKINSON*S DISEASE SMITHKLINE BEECHAM P.L.C. (GB) 2001-08-14 US disclosed
EP-0980357-A1 SUBSTITUTED TETRAHYDRO ISOQUINOLINES AS MODULATORS OF DOPAMINE D3 RECEPTORS SMITHKLINE BEECHAM PLC (GB) 2000-02-23 EP disclosed
WO-1998050363-A1 SUBSTITUTED TETRAHYDRO ISOQUINOLINES AS MODULATORS OF DOPAMINE D3 RECEPTORS SMITHKLINE BEECHAM PLC (GB) 1998-11-12 WO disclosed