SCHEMBL6962033

SCHEMBL6962033

O=C(O)OC1CCN(CCCN2c3ccccc3Sc3ccccc32)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 10/20 0.64
DRD2 P14416 5/20 0.57
HRH1 P35367 5/20 0.57
DRD3 P35462 5/20 0.57
SLC6A2 P23975 4/20 0.57
SLC6A4 P31645 4/20 0.57
ADRA2B P18089 3/20 0.57
ADRA2C P18825 3/20 0.57
HTR2A P28223 3/20 0.57
HTR2B P41595 3/20 0.57
ADRA2A P08913 3/20 0.57
DRD1 P21728 3/20 0.57
CYP2D6 P10635 2/20 0.57
HTR2C P28335 2/20 0.57
SIGMAR1 Q99720 2/20 0.57
CHRM5 P08912 1/20 0.57
ADRA1D P25100 1/20 0.57
HTR6 P50406 1/20 0.57
HTR1A P08908 3/20 0.54
ADRA1A P35348 3/20 0.54

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
SCHEMBL8203132 0.86 SLC6A1 (0.61) KDM1ADRD2HRH1DRD3SLC6A2
SCHEMBL6963416 0.84 CHRM1 (0.58) DRD2DRD3CHRM5ADRA1DADRA1A
SCHEMBL6966810 0.84 DRD2 (0.75) KDM1ADRD2HRH1DRD3SLC6A2
Hydrochloric Acid SCHEMBL6969678 0.83 DRD2 (0.74) KDM1ADRD2HRH1DRD3SLC6A2
SCHEMBL7465752 0.81 CHRM1 (0.51) DRD2HRH1HTR2ACHRM5ADRA1A
SCHEMBL11686598 0.81 KDM1A (0.67) KDM1ADRD2HRH1DRD3SLC6A2
SCHEMBL11686604 0.81 KDM1A (0.64) KDM1ADRD2HRH1DRD3SLC6A2
Hydrochloric Acid SCHEMBL11688573 0.80 KDM1A (0.62) KDM1ADRD2HRH1DRD3SLC6A2
Hydrochloric Acid SCHEMBL11688568 0.80 KDM1A (0.66) KDM1ADRD2HRH1DRD3SLC6A2
SCHEMBL9084388 0.78 SLC6A1 (0.74) SLC6A1

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-0934313-B1 N-SUBSTITUTED AZAHETEROCYCLIC COMPOUNDS NOVO NORDISK AS (DK) 2003-05-14 EP claimed