SCHEMBL7843695

SCHEMBL7843695

CC(=O)c1ccc2c(c1)CN(CCCCNC(=O)C(F)(F)F)CC2

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 19/20 0.61
DRD2 P14416 14/20 0.61
DRD4 P21917 4/20 0.49
DRD1 P21728 1/20 0.47

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
SCHEMBL6984464 0.85 DRD3 (0.52) DRD3DRD2DRD4
SCHEMBL7843315 0.83 DRD3 (0.63) DRD3DRD2
SCHEMBL7854476 0.82 DRD3 (0.58) DRD3DRD2DRD4
SCHEMBL6983214 0.82 DRD2 (0.57) DRD3DRD2
SCHEMBL7856243 0.82 DRD2 (0.53) DRD3DRD2
SCHEMBL7976693 0.81 DRD3 (0.51) DRD3DRD2DRD4DRD1
SCHEMBL7979139 0.81 DRD3 (0.49) DRD3DRD2DRD4DRD1
SCHEMBL6981811 0.81 DRD3 (0.79) DRD3DRD2DRD4DRD1
SCHEMBL6979709 0.80 DRD3 (0.75) DRD3DRD2DRD4DRD1
SCHEMBL7852834 0.79 DRD2 (0.48) 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 2 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 disclosed
US-6143762-A DRUGS AS DOPAMINE ANTAGONIST PSYCHOLOGICAL DISORDERS SMITHKLINE BEECHAM, PLC (GB) 2000-11-07 US disclosed