SCHEMBL7974488

SCHEMBL7974488

O=C(/C=C/c1ccc2[nH]cnc2c1)NCCCCN1CCc2cc(OC(F)(F)F)ccc2C1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 19/20 0.60
DRD3 P35462 19/20 0.60
HTR1D P28221 2/20 0.51
HTR1B P28222 2/20 0.51
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42

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
SCHEMBL7974491 0.94 DRD2 (0.59) DRD2DRD3HTR1DHTR1BHDAC3
SCHEMBL7846242 0.88 DRD2 (0.77) DRD2DRD3HTR1DHTR1B
SCHEMBL7976525 0.87 DRD2 (0.79) DRD2DRD3HTR1DHTR1BHDAC3
SCHEMBL7976527 0.87 DRD2 (0.79) DRD2DRD3HTR1DHTR1BHDAC3
SCHEMBL7962826 0.84 DRD3 (0.59) DRD2DRD3HTR1DHTR1B
SCHEMBL7962861 0.84 DRD2 (0.77) DRD2DRD3HTR1DHTR1BHDAC3
SCHEMBL7962862 0.84 DRD2 (0.77) DRD2DRD3HTR1DHTR1BHDAC3
SCHEMBL7846244 0.83 DRD2 (0.75) DRD2DRD3HTR1DHTR1B
SCHEMBL7852135 0.81 DRD3 (0.63) DRD2DRD3HTR1DHTR1B
SCHEMBL7853775 0.81 DRD2 (0.82) DRD2DRD3HTR1DHTR1B

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