SCHEMBL7962826

SCHEMBL7962826

N#Cc1ccc2c(c1)CCN(CCCCNC(=O)/C=C/c1ccc3[nH]cnc3c1)C2

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 19/20 0.59
DRD2 P14416 18/20 0.59
HTR1D P28221 5/20 0.59
HTR1B P28222 4/20 0.59
CCR2 P41597 1/20 0.46
DRD4 P21917 1/20 0.44
OPRM1 P35372 1/20 0.44

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
SCHEMBL7852135 0.97 DRD3 (0.63) DRD3DRD2HTR1DHTR1BCCR2
SCHEMBL7962830 0.94 DRD3 (0.61) DRD3DRD2HTR1DHTR1BCCR2
SCHEMBL7853339 0.91 DRD2 (0.65) DRD3DRD2HTR1DHTR1BCCR2
SCHEMBL7962871 0.86 DRD3 (0.66) DRD3DRD2HTR1DHTR1BCCR2
SCHEMBL7962866 0.86 DRD3 (0.66) DRD3DRD2HTR1DHTR1BCCR2
SCHEMBL7974488 0.84 DRD2 (0.60) DRD3DRD2HTR1DHTR1B
SCHEMBL7852346 0.83 DRD3 (0.70) DRD3DRD2HTR1DHTR1BCCR2
SCHEMBL7851315 0.83 DRD3 (0.70) DRD3DRD2HTR1DHTR1BCCR2
SCHEMBL7850299 0.82 DRD3 (0.66) DRD3DRD2HTR1DHTR1BCCR2
SCHEMBL7844301 0.82 DRD3 (0.66) DRD3DRD2HTR1DHTR1BCCR2

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