SCHEMBL31098243

SCHEMBL31098243

O=c1nc(CN2CCN(C3=Nc4ccccc4Oc4ccc(Cl)cc43)CC2)[nH][nH]1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 8/20 0.60
▸ HRH4 Q9H3N8 8/20 0.60
▸ DRD4 P21917 7/20 0.60
▸ DRD3 P35462 5/20 0.60
▸ HTR2C P28335 4/20 0.60
▸ DRD1 P21728 4/20 0.60
▸ CHRM1 P11229 4/20 0.60
▸ HRH2 P25021 3/20 0.60
▸ HRH1 P35367 3/20 0.60
▸ HTR1A P08908 3/20 0.60
▸ HTR2A P28223 3/20 0.60
▸ ADRB2 P07550 2/20 0.60
▸ CHRM2 P08172 2/20 0.60
▸ CHRM4 P08173 2/20 0.60
▸ CHRM5 P08912 2/20 0.60
▸ ADRA2A P08913 2/20 0.60
▸ ADORA3 P0DMS8 2/20 0.60
▸ ADRA2B P18089 2/20 0.60
▸ ADRA2C P18825 2/20 0.60
▸ CHRM3 P20309 2/20 0.60

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
SCHEMBL31098232 0.89 HRH4 (0.56) DRD2HRH4DRD4DRD3HTR2C
SCHEMBL31098219 0.86 DRD4 (0.48) DRD2HRH4DRD4DRD3HTR2C
SCHEMBL31098220 0.84 HRH4 (0.59) DRD2HRH4DRD4DRD3HTR2C
SCHEMBL31098233 0.83 DRD4 (0.45) DRD2HRH4DRD4DRD3HTR2C
SCHEMBL5946357 0.78 MEN1 (0.74) DRD2HRH4DRD4DRD3HTR2C
SCHEMBL31098210 0.78 HRH4 (0.73) DRD2HRH4DRD4DRD3HTR2C
SCHEMBL31098221 0.77 HRH4 (0.69) DRD2HRH4DRD4DRD3HTR2C
SCHEMBL19096125 0.77 HRH4 (0.68) DRD2HRH4DRD4DRD3HTR2C
SCHEMBL5946392 0.77 MEN1 (0.81) DRD2HRH4DRD4DRD3HTR2C
SCHEMBL31098242 0.76 HTR2C (0.47) DRD2HRH4DRD4DRD3HTR2C

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
Send feedback