SCHEMBL7528070

SCHEMBL7528070

O=C(NCCCCN1CCN(c2cccc3cccnc23)CC1)c1ccc2c(c1)=c1ccccc1=2

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 14/20 0.61
ADRA1A P35348 10/20 0.61
HTR2A P28223 7/20 0.61
HTR1A P08908 7/20 0.61
ADRA2A P08913 5/20 0.61
ADRA1D P25100 3/20 0.61
ADRA1B P35368 3/20 0.61
ADRA2B P18089 2/20 0.61
ADRA2C P18825 2/20 0.61
HRH1 P35367 2/20 0.61
KCNH2 Q12809 1/20 0.61
HTR2C P28335 6/20 0.60
SLC6A4 P31645 4/20 0.60
DRD2 P14416 14/20 0.59
DRD4 P21917 4/20 0.59
DRD1 P21728 2/20 0.58
HTR2B P41595 2/20 0.58
MEN1 O00255 1/20 0.58
LMNA P02545 1/20 0.58
TP53 P04637 1/20 0.58

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
Hydrochloric Acid SCHEMBL7531187 0.99 DRD3 (0.60) DRD3ADRA1AHTR2AHTR1AADRA2A
SCHEMBL7342776 0.89 DRD2 (0.68) DRD3ADRA1AHTR2AHTR1AADRA2A
Hydrochloric Acid SCHEMBL7351318 0.88 DRD2 (0.67) DRD3ADRA1AHTR2AHTR1AADRA2A
Hydrochloric Acid SCHEMBL7350351 0.85 DRD2 (0.76) DRD3ADRA1AHTR2AHTR1AADRA2A
Hydrochloric Acid SCHEMBL7424220 0.84 DRD2 (0.57) DRD3ADRA1AHTR2AHTR1AADRA2A
SCHEMBL7526939 0.83 DRD3 (0.77) DRD3ADRA1AHTR2AHTR1AADRA1D
SCHEMBL7528464 0.81 DRD2 (0.79) DRD3ADRA1AHTR2AHTR1AADRA2A
SCHEMBL7530035 0.81 DRD3 (0.79) DRD3ADRA1AHTR2AHTR1AADRA1D
SCHEMBL7529338 0.81 DRD2 (0.79) DRD3ADRA1AHTR2AHTR1AHTR2C
SCHEMBL3265484 0.80 HTR2A (0.60) DRD3HTR2AHTR1AHTR2CSLC6A4

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-0898567-B1 N-AMINOALKYL-1-BIPHENYLENYL-2-CARBOXAMIDES; DOPAMINE RECEPTOR SUBTYPE SPECIFIC LIGANDS NEUROGEN CORP (US) 2002-04-03 EP claimed