SCHEMBL6981058

SCHEMBL6981058

COc1ccc2c(c1)CN(CCCCNC(=O)c1ccc(-c3ccc(-c4ccc(C)nc4)cc3)cc1)CC2

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 16/20 0.62
DRD2 P14416 10/20 0.62
DRD4 P21917 6/20 0.61
DRD1 P21728 2/20 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
SCHEMBL6981194 1.00 DRD3 (0.62) DRD3DRD2DRD4DRD1
SCHEMBL6980585 0.88 DRD3 (0.77) DRD3DRD2DRD4DRD1
SCHEMBL6978647 0.88 DRD3 (0.78) DRD3DRD2DRD4DRD1
SCHEMBL6979684 0.84 DRD3 (0.76) DRD3DRD2DRD4DRD1
SCHEMBL7962865 0.84 DRD3 (0.74) DRD3DRD2DRD4DRD1
SCHEMBL6981235 0.81 DRD3 (0.65) DRD3DRD2DRD4DRD1
SCHEMBL6975459 0.78 DRD3 (0.82) DRD3DRD2DRD4DRD1
SCHEMBL8138022 0.78 DRD3 (0.79) DRD3DRD2DRD4DRD1
SCHEMBL6981220 0.78 DRD3 (0.81) DRD3DRD2DRD4DRD1
SCHEMBL8138026 0.77 DRD3 (0.75) DRD3DRD2DRD4DRD1

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 1 patent. 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 claimed