SCHEMBL31098233

SCHEMBL31098233

O=c1nc(CN2CCCN(C3=Nc4ccccc4Oc4ccc(C(F)(F)F)cc43)CC2)[nH][nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD4 P21917 5/20 0.45
▸ DRD3 P35462 4/20 0.45
▸ DRD2 P14416 4/20 0.45
▸ CHRM1 P11229 3/20 0.45
▸ HTR2C P28335 7/20 0.41
▸ HRH4 Q9H3N8 6/20 0.41
▸ HTR2A P28223 5/20 0.41
▸ HTR1A P08908 3/20 0.41
▸ KCNH2 Q12809 3/20 0.41
▸ HRH2 P25021 3/20 0.41
▸ HRH1 P35367 3/20 0.41
▸ ADRB2 P07550 2/20 0.41
▸ CHRM2 P08172 2/20 0.41
▸ CHRM4 P08173 2/20 0.41
▸ CHRM5 P08912 2/20 0.41
▸ ADRA2A P08913 2/20 0.41
▸ ADORA3 P0DMS8 2/20 0.41
▸ ADRA2B P18089 2/20 0.41
▸ ADRA2C P18825 2/20 0.41
▸ CHRM3 P20309 2/20 0.41

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
SCHEMBL31098219 0.97 DRD4 (0.48) DRD4DRD3DRD2CHRM1HTR2C
SCHEMBL31098242 0.87 HTR2C (0.47) DRD4DRD3DRD2CHRM1HTR2C
SCHEMBL31098243 0.83 DRD2 (0.60) DRD4DRD3DRD2CHRM1HTR2C
SCHEMBL31098225 0.77 HRH4 (0.64) DRD4DRD3DRD2CHRM1HTR2C
SCHEMBL31098222 0.76 DRD3 (0.49) DRD4DRD3DRD2CHRM1HTR2C
SCHEMBL31098208 0.75 DRD2 (0.64) DRD4DRD3DRD2CHRM1HTR2C
SCHEMBL31098232 0.75 HRH4 (0.56) DRD4DRD3DRD2CHRM1HTR2C
SCHEMBL7408774 0.75 HRH4 (0.69) DRD4DRD3DRD2CHRM1HTR2C
SCHEMBL31098236 0.75 DRD2 (0.69) DRD4DRD3DRD2CHRM1HTR2C
SCHEMBL3837735 0.72 HRH4 (0.61) DRD4DRD3DRD2CHRM1HTR2C

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
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