SCHEMBL8202368

SCHEMBL8202368

O=C(O)O[C@@H]1CCCN(CCCN2c3ccccc3CCCc3ccccc32)C1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A1 P30531 2/20 0.57
HTR7 P34969 1/20 0.48
CHRNB2 P17787 1/20 0.47
CHRNB4 P30926 1/20 0.47
CHRNA3 P32297 1/20 0.47
CHRNA4 P43681 1/20 0.47
DRD3 P35462 3/20 0.45
CHRM2 P08172 2/20 0.45
CHRM1 P11229 2/20 0.45
DRD2 P14416 2/20 0.45
DRD4 P21917 2/20 0.45
CHRM4 P08173 1/20 0.45
CHRM5 P08912 1/20 0.45
CHRM3 P20309 1/20 0.45
HTR1A P08908 1/20 0.44
ADRA2A P08913 1/20 0.44
DRD1 P21728 1/20 0.44
TBXA2R P21731 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44

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 0.97 SLC6A1 (0.61) SLC6A1HTR7CHRNB2CHRNB4CHRNA3
SCHEMBL8202612 0.97 SLC6A1 (0.61) SLC6A1HTR7CHRNB2CHRNB4CHRNA3
SCHEMBL8206888 0.94 SLC6A1 (0.61) SLC6A1HTR7CHRNB2CHRNB4CHRNA3
SCHEMBL9086228 0.92 SLC6A1 (0.69) SLC6A1
SCHEMBL9083825 0.91 SLC6A1 (0.68) SLC6A1
SCHEMBL8202532 0.90 SLC6A1 (0.60) SLC6A1DRD3DRD2DRD4
SCHEMBL8204387 0.88 SLC6A1 (0.52) SLC6A1DRD3CHRM2CHRM1DRD2
SCHEMBL9085830 0.88 SLC6A1 (0.74) SLC6A1
SCHEMBL7843283 0.88 SLC6A1 (0.52) SLC6A1HTR7CHRNB2CHRNB4CHRNA3
SCHEMBL7843959 0.88 SLC6A1 (0.52) SLC6A1HTR7CHRNB2CHRNB4CHRNA3

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