SCHEMBL31098217

SCHEMBL31098217

Fc1ccc2c(c1)N=C(N1CCNCC1)c1cc(Cl)ccc1O2

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 6/20 0.74
▸ HTR1A P08908 3/20 0.74
▸ ADRA2A P08913 3/20 0.74
▸ HTR2A P28223 3/20 0.74
▸ DRD4 P21917 3/20 0.74
▸ CHRM2 P08172 3/20 0.74
▸ CHRM4 P08173 3/20 0.74
▸ CHRM5 P08912 3/20 0.74
▸ CHRM1 P11229 3/20 0.74
▸ CHRM3 P20309 3/20 0.74
▸ DRD1 P21728 3/20 0.74
▸ KCNH2 Q12809 3/20 0.74
▸ HRH2 P25021 3/20 0.74
▸ HRH1 P35367 3/20 0.74
▸ HTR2C P28335 3/20 0.74
▸ CYP1A2 P05177 3/20 0.74
▸ CYP3A4 P08684 3/20 0.74
▸ CYP2D6 P10635 3/20 0.74
▸ ADRB2 P07550 2/20 0.74
▸ ADORA3 P0DMS8 2/20 0.74

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
SCHEMBL13285190 1.00 DRD2 (0.74) DRD2HTR1AADRA2AHTR2ADRD4
SCHEMBL13285192 0.91 HRH4 (0.61) DRD2HTR1AADRA2AHTR2ADRD4
SCHEMBL2615196 0.86 DRD2 (0.74) DRD2HTR1AADRA2AHTR2ADRD4
SCHEMBL3411659 0.86 DRD2 (0.55) DRD2HTR1AADRA2AHTR2ADRD4
SCHEMBL2738764 0.86 DRD2 (0.74) DRD2HTR1AADRA2AHTR2ADRD4
Amoxapine SCHEMBL29354942 0.85 DRD2 (1.00) DRD2HTR1AADRA2AHTR2ADRD4
Amoxapine SCHEMBL29370074 0.85 DRD2 (1.00) DRD2HTR1AADRA2AHTR2ADRD4
Amoxapine SCHEMBL29482386 0.85 DRD2 (1.00) DRD2HTR1AADRA2AHTR2ADRD4
Amoxapine SCHEMBL33950 0.85 DRD2 (1.00) DRD2HTR1AADRA2AHTR2ADRD4
Amoxapine SCHEMBL5498936 0.85 DRD2 (1.00) DRD2HTR1AADRA2AHTR2ADRD4

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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