SCHEMBL7828053

SCHEMBL7828053

CS(=O)(=O)N1CCCCC1CCCN1c2ccccc2CCc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 9/20 0.44
CHRM1 P11229 9/20 0.44
CHRM3 P20309 9/20 0.44
DRD2 P14416 8/20 0.44
DRD3 P35462 8/20 0.44
CHRM4 P08173 8/20 0.44
CHRM5 P08912 8/20 0.44
DRD4 P21917 7/20 0.44
HTR7 P34969 4/20 0.44
HTR2A P28223 3/20 0.44
SLC6A2 P23975 3/20 0.44
ADRA1A P35348 3/20 0.44
HTR1A P08908 3/20 0.44
SLC22A2 O15244 2/20 0.44
SLC22A1 O15245 2/20 0.44
SLC22A3 O75751 2/20 0.44
CYP2D6 P10635 2/20 0.44
ADRA2B P18089 2/20 0.44
ADRA2C P18825 2/20 0.44
HTR2C P28335 2/20 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
SCHEMBL7829493 0.76 CHRM1 (0.43) CHRM2CHRM1CHRM3DRD2DRD3
Hydrochloric Acid SCHEMBL7987462 0.75 CHRM2 (0.43) CHRM2CHRM1CHRM3DRD2DRD3
SCHEMBL7818773 0.73 NOTUM (0.43) CHRM2CHRM1CHRM3DRD2DRD3
SCHEMBL13305305 0.71 CHRM2 (0.48) CHRM2CHRM1CHRM3DRD2DRD3
SCHEMBL6957645 0.70 CHRM1 (0.47) CHRM2CHRM1CHRM3DRD2DRD3
SCHEMBL5495043 0.69 SLC6A1 (0.48) CHRM2CHRM1CHRM3DRD2DRD3
SCHEMBL6956787 0.69 CHRM1 (0.48) CHRM2CHRM1CHRM3DRD2DRD3
SCHEMBL7527914 0.69 CHRM1 (0.59) CHRM2CHRM1CHRM3DRD2DRD3
SCHEMBL13051501 0.68 HTR2A (0.78) CHRM2CHRM1CHRM3DRD2DRD3
Hydrochloric Acid SCHEMBL7166870 0.68 SLC6A1 (0.47) CHRM2CHRM1CHRM3DRD2DRD3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6214816-B1 ANTIDIABETIC AGENTS, ANALGESICS AND ANTIINFLAMMATORY AGENTS NOVO NORDISK A/S (DK) 2001-04-10 US disclosed
EP-1071679-A1 NOVEL HETEROCYCLIC COMPOUNDS NOVO NORDISK A/S (DK) 2001-01-31 EP disclosed
WO-1999047517-A1 NOVEL HETEROCYCLIC COMPOUNDS NOVO NORDISK A/S (DK) 1999-09-23 WO disclosed