SCHEMBL31098208

SCHEMBL31098208

FC(F)(F)c1ccc2c(c1)C(N1CCCNCC1)=Nc1ccccc1O2

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 8/20 0.64
▸ HTR2C P28335 5/20 0.64
▸ DRD3 P35462 4/20 0.64
▸ DRD4 P21917 4/20 0.64
▸ CHRM1 P11229 4/20 0.64
▸ ADRA2A P08913 4/20 0.64
▸ HTR2A P28223 4/20 0.64
▸ HRH1 P35367 4/20 0.64
▸ HTR1A P08908 3/20 0.64
▸ HTR3A P46098 3/20 0.64
▸ HRH2 P25021 3/20 0.64
▸ CHRM2 P08172 3/20 0.64
▸ CHRM4 P08173 3/20 0.64
▸ CHRM5 P08912 3/20 0.64
▸ ADRA2B P18089 3/20 0.64
▸ ADRA2C P18825 3/20 0.64
▸ CHRM3 P20309 3/20 0.64
▸ DRD1 P21728 3/20 0.64
▸ ADRA1A P35348 3/20 0.64
▸ HTR2B P41595 3/20 0.64

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
SCHEMBL31098236 0.96 DRD2 (0.69) DRD2HTR2CDRD3DRD4CHRM1
SCHEMBL3405530 0.88 DRD2 (0.61) DRD2HTR2CDRD3DRD4CHRM1
SCHEMBL31098211 0.84 HTR2C (0.53) DRD2HTR2CDRD3DRD4CHRM1
SCHEMBL31098225 0.83 HRH4 (0.64) DRD2HTR2CDRD3DRD4CHRM1
SCHEMBL7408774 0.82 HRH4 (0.69) DRD2HTR2CDRD3DRD4CHRM1
SCHEMBL3413799 0.81 DRD2 (0.53) DRD2HTR2CDRD3DRD4CHRM1
SCHEMBL2615197 0.81 DRD2 (0.74) DRD2HTR2CDRD3DRD4CHRM1
SCHEMBL7412847 0.79 DRD2 (0.64) DRD2HTR2CDRD3DRD4CHRM1
SCHEMBL167601 0.79 DRD2 (0.74) DRD2HTR2CDRD3DRD4CHRM1
SCHEMBL29969899 0.79 DRD2 (0.74) DRD2HTR2CDRD3DRD4CHRM1

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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