SCHEMBL31098210

SCHEMBL31098210

OCCN1CCN(C2=Nc3ccccc3Oc3ccc(Cl)cc32)CC1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 10/20 0.73
DRD4 P21917 5/20 0.73
ADRA2A P08913 4/20 0.73
HTR1A P08908 4/20 0.73
HTR2A P28223 4/20 0.73
DRD2 P14416 3/20 0.73
HRH2 P25021 3/20 0.73
HRH1 P35367 3/20 0.73
HTR2C P28335 3/20 0.73
DRD3 P35462 3/20 0.73
ADRB2 P07550 2/20 0.73
CHRM2 P08172 2/20 0.73
CHRM4 P08173 2/20 0.73
CHRM5 P08912 2/20 0.73
ADORA3 P0DMS8 2/20 0.73
CHRM1 P11229 2/20 0.73
ADRA2B P18089 2/20 0.73
ADRA2C P18825 2/20 0.73
CHRM3 P20309 2/20 0.73
DRD1 P21728 2/20 0.73

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
SCHEMBL3834180 0.91 HRH4 (0.73) HRH4DRD4ADRA2AHTR1AHTR2A
SCHEMBL5946392 0.87 MEN1 (0.81) HRH4DRD4ADRA2AHTR1AHTR2A
SCHEMBL4194509 0.87 HRH4 (0.69) HRH4DRD4ADRA2AHTR1AHTR2A
SCHEMBL22075442 0.87 HRH4 (0.71) HRH4DRD4ADRA2AHTR1AHTR2A
SCHEMBL5946345 0.86 MEN1 (0.79) HRH4DRD4ADRA2AHTR1AHTR2A
SCHEMBL19096125 0.85 HRH4 (0.68) HRH4DRD4ADRA2AHTR1AHTR2A
Loxapine SCHEMBL94146 0.85 HRH4 (1.00) HRH4DRD4ADRA2AHTR1AHTR2A
Loxapine SCHEMBL29374082 0.85 HRH4 (1.00) HRH4DRD4ADRA2AHTR1AHTR2A
Loxapine SCHEMBL19386241 0.85 HRH4 (1.00) HRH4DRD4ADRA2AHTR1AHTR2A
Loxapine SCHEMBL29482385 0.85 HRH4 (1.00) HRH4DRD4ADRA2AHTR1AHTR2A

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-4428132-A1 SLACK-ACTIVATING COMPOUNDS AND THEIR MEDICAL USE Johann-Wolfgang-Goethe-Universität Frankfurt am Main (DE) 2024-09-11 EP disclosed