SCHEMBL8202532

SCHEMBL8202532

O=C(O)O[C@@H]1CCCN(CCN2c3ccccc3CCc3ccccc32)C1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A1 P30531 1/20 0.60
DRD2 P14416 1/20 0.47
DRD4 P21917 1/20 0.47
DRD3 P35462 1/20 0.47
CYP3A4 P08684 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46

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
SCHEMBL8206721 0.93 SLC6A1 (0.61) SLC6A1DRD2DRD4DRD3
SCHEMBL8206888 0.93 SLC6A1 (0.61) SLC6A1DRD2DRD4DRD3
SCHEMBL8202612 0.93 SLC6A1 (0.61) SLC6A1DRD2DRD4DRD3
SCHEMBL9085830 0.91 SLC6A1 (0.74) SLC6A1
SCHEMBL8202368 0.90 SLC6A1 (0.57) SLC6A1DRD2DRD4DRD3
SCHEMBL9083825 0.89 SLC6A1 (0.68) SLC6A1
SCHEMBL9086228 0.88 SLC6A1 (0.69) SLC6A1
SCHEMBL8204387 0.85 SLC6A1 (0.52) SLC6A1DRD2DRD4DRD3CYP3A4
SCHEMBL7843283 0.85 SLC6A1 (0.52) SLC6A1DRD2DRD4DRD3
SCHEMBL7843959 0.85 SLC6A1 (0.52) SLC6A1DRD2DRD4DRD3

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-0738262-B1 NOVEL HETEROCYCLIC COMPOUNDS NOVO NORDISK AS (DK) 2000-04-19 EP claimed