SCHEMBL7856243

SCHEMBL7856243

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

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 18/20 0.53
DRD3 P35462 18/20 0.53
HTR7 P34969 2/20 0.48

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
SCHEMBL7843695 0.82 DRD3 (0.61) DRD2DRD3
SCHEMBL6984464 0.81 DRD3 (0.52) DRD2DRD3
SCHEMBL6983214 0.81 DRD2 (0.57) DRD2DRD3
SCHEMBL7852608 0.80 HTR7 (0.50) HTR7
SCHEMBL7843315 0.80 DRD3 (0.63) DRD2DRD3HTR7
SCHEMBL7854476 0.79 DRD3 (0.58) DRD2DRD3HTR7
SCHEMBL7976693 0.77 DRD3 (0.51) DRD2DRD3
SCHEMBL7979139 0.77 DRD3 (0.49) DRD2DRD3
SCHEMBL7976536 0.77 DRD3 (0.52) DRD2DRD3
SCHEMBL8980468 0.76 HTR7 (0.64) DRD2DRD3HTR7

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