SCHEMBL31098232

SCHEMBL31098232

O=c1nc(CN2CCN(C3=Nc4cc(F)ccc4Oc4ccc(Cl)cc43)CC2)[nH][nH]1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 8/20 0.56
▸ HTR2C P28335 7/20 0.47
▸ DRD2 P14416 4/20 0.46
▸ DRD4 P21917 4/20 0.46
▸ DRD1 P21728 3/20 0.46
▸ HTR1A P08908 3/20 0.46
▸ HTR2A P28223 3/20 0.46
▸ ADRB2 P07550 2/20 0.46
▸ CHRM2 P08172 2/20 0.46
▸ CHRM4 P08173 2/20 0.46
▸ CHRM5 P08912 2/20 0.46
▸ ADRA2A P08913 2/20 0.46
▸ ADORA3 P0DMS8 2/20 0.46
▸ CHRM1 P11229 2/20 0.46
▸ ADRA2B P18089 2/20 0.46
▸ ADRA2C P18825 2/20 0.46
▸ CHRM3 P20309 2/20 0.46
▸ DRD5 P21918 2/20 0.46
▸ SLC6A2 P23975 2/20 0.46
▸ HRH2 P25021 2/20 0.46

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
SCHEMBL31098243 0.89 DRD2 (0.60) HRH4HTR2CDRD2DRD4DRD1
SCHEMBL31098242 0.88 HTR2C (0.47) HRH4HTR2CDRD2DRD4HTR1A
SCHEMBL31098219 0.78 DRD4 (0.48) HRH4HTR2CDRD2DRD4DRD1
SCHEMBL13285190 0.77 DRD2 (0.74) HRH4HTR2CDRD2DRD4DRD1
SCHEMBL31098217 0.77 DRD2 (0.74) HRH4HTR2CDRD2DRD4DRD1
SCHEMBL31098233 0.75 DRD4 (0.45) HRH4HTR2CDRD2DRD4DRD1
SCHEMBL31098220 0.73 HRH4 (0.59) HRH4HTR2CDRD2DRD4DRD1
SCHEMBL13284405 0.71 HRH4 (0.83) HRH4HTR2CDRD2DRD4DRD1
SCHEMBL8928151 0.69 DRD4 (0.76) HRH4HTR2CDRD2DRD4DRD1
SCHEMBL7410631 0.69 HRH4 (0.84) HRH4HTR2CDRD2DRD4DRD1

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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