SCHEMBL6957807

SCHEMBL6957807

O=C(O)OC1CN(CCCN2c3ccccc3CCc3ccccc32)Cc2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A1 P30531 1/20 0.45
DRD3 P35462 9/20 0.43
DRD2 P14416 8/20 0.43
DRD4 P21917 8/20 0.43
CHRM1 P11229 7/20 0.43
CHRM2 P08172 6/20 0.43
CHRM4 P08173 5/20 0.43
CHRM5 P08912 5/20 0.43
CHRM3 P20309 5/20 0.43
ADRA1A P35348 2/20 0.43
HTR1A P08908 1/20 0.43
ADRA2A P08913 1/20 0.43
DRD1 P21728 1/20 0.43
TBXA2R P21731 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
OPRM1 P35372 1/20 0.43
SLC6A3 Q01959 1/20 0.43
KCNH2 Q12809 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43

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
SCHEMBL5495884 0.83 SLC6A1 (0.47) SLC6A1DRD3DRD2DRD4CHRM1
SCHEMBL6963416 0.77 CHRM1 (0.58) DRD3DRD2DRD4CHRM1CHRM2
SCHEMBL6967112 0.76 HTR2A (0.48) SLC6A1DRD3DRD2DRD4CHRM1
SCHEMBL8202612 0.76 SLC6A1 (0.61) SLC6A1DRD3DRD2DRD4CHRM1
SCHEMBL6968012 0.76 SLC6A1 (0.50) SLC6A1DRD3DRD2DRD4CHRM1
SCHEMBL8206721 0.76 SLC6A1 (0.61) SLC6A1DRD3DRD2DRD4CHRM1
SCHEMBL6968389 0.75 SLC6A1 (0.49) SLC6A1DRD3DRD2DRD4CHRM1
SCHEMBL6967020 0.75 SLC6A1 (0.49) SLC6A1DRD3DRD2DRD4CHRM1
SCHEMBL8206888 0.73 SLC6A1 (0.61) SLC6A1DRD3DRD2DRD4
SCHEMBL7084849 0.73 HTR2A (0.44) SLC6A1DRD3DRD2DRD4CHRM1

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-0820451-B1 NOVEL HETEROCYCLIC COMPOUNDS NOVO NORDISK AS (DK) 2003-01-15 EP claimed