SCHEMBL7852036

SCHEMBL7852036

COc1ccc2c(c1)CN(CCCCNC(=O)/C=C/c1ccccc1)CC2

nearest known ligand 0.78

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 19/20 0.78
DRD3 P35462 19/20 0.78
HTR1D P28221 1/20 0.58
HTR1B P28222 1/20 0.58

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
SCHEMBL7852040 1.00 DRD2 (0.78) DRD2DRD3HTR1DHTR1B
SCHEMBL7850964 0.91 DRD2 (0.78) DRD2DRD3
SCHEMBL7854682 0.91 DRD2 (0.78) DRD2DRD3
SCHEMBL7850972 0.88 DRD2 (1.00) DRD2DRD3HTR1DHTR1B
SCHEMBL7850966 0.88 DRD2 (1.00) DRD2DRD3HTR1DHTR1B
SCHEMBL7851643 0.88 DRD2 (1.00) DRD2DRD3HTR1DHTR1B
SCHEMBL7851769 0.88 DRD2 (1.00) DRD2DRD3HTR1DHTR1B
SCHEMBL7851543 0.87 DRD2 (1.00) DRD2DRD3HTR1DHTR1B
SCHEMBL7852867 0.87 DRD2 (1.00) DRD2DRD3HTR1DHTR1B
SCHEMBL7851948 0.87 DRD2 (0.81) 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
EP-0922035-B1 TETRAHYDROISOQUINOLINE DERIVATIVES AND THEIR PHARMACEUTICAL USE SMITHKLINE BEECHAM PLC (GB) 2001-02-07 EP claimed
US-6143762-A DRUGS AS DOPAMINE ANTAGONIST PSYCHOLOGICAL DISORDERS SMITHKLINE BEECHAM, PLC (GB) 2000-11-07 US claimed
EP-0922035-B1 TETRAHYDROISOQUINOLINE DERIVATIVES AND THEIR PHARMACEUTICAL USE SMITHKLINE BEECHAM PLC (GB) 2001-02-07 EP disclosed
US-6143762-A DRUGS AS DOPAMINE ANTAGONIST PSYCHOLOGICAL DISORDERS SMITHKLINE BEECHAM, PLC (GB) 2000-11-07 US disclosed
EP-0922035-A1 TETRAHYDROISOQUINOLINE DERIVATIVES AND THEIR PHARMACEUTICAL USE SMITHKLINE BEECHAM PLC (GB) 1999-06-16 EP disclosed
WO-1998006699-A1 TETRAHYDROISOQUINOLINE DERIVATIVES AND THEIR PHARMACEUTICAL USE SMITHKLINE BEECHAM PLC (GB) 1998-02-19 WO disclosed