SCHEMBL7323722

SCHEMBL7323722

Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCS2

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 13/20 0.75
HTR2A P28223 12/20 0.75
HTR2C P28335 6/20 0.75
HTR7 P34969 5/20 0.75
HTR6 P50406 4/20 0.75
ADRA2C P18825 3/20 0.75
DRD1 P21728 3/20 0.75
DRD4 P21917 3/20 0.75
ADRA1A P35348 3/20 0.75
HRH1 P35367 3/20 0.75
DRD3 P35462 3/20 0.75
KCNH2 Q12809 3/20 0.75
ACHE P22303 3/20 0.75
ADRA2A P08913 2/20 0.75
ADRA2B P18089 2/20 0.75
DRD5 P21918 2/20 0.75
HTR1D P28221 2/20 0.75
HTR1B P28222 2/20 0.75
SCN5A Q14524 2/20 0.75
SLC6A4 P31645 2/20 0.75

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
SCHEMBL7283232 0.95 DRD2 (0.72) DRD2HTR2AHTR2CHTR7HTR6
SCHEMBL3146202 0.87 DRD2 (0.77) DRD2HTR2AHTR2CHTR7HTR6
SCHEMBL1119098 0.85 DRD2 (1.00) DRD2HTR2AHTR2CHTR7HTR6
Risperidone SCHEMBL5070793 0.85 DRD2 (1.00) DRD2HTR2AHTR2CHTR7HTR6
Risperidone SCHEMBL29392548 0.85 DRD2 (1.00) DRD2HTR2AHTR2CHTR7HTR6
Risperidone SCHEMBL27911 0.85 DRD2 (1.00) DRD2HTR2AHTR2CHTR7HTR6
SCHEMBL9594562 0.85 DRD2 (0.77) DRD2HTR2AHTR2CHTR7HTR6
Risperidone SCHEMBL16965766 0.85 DRD2 (1.00) DRD2HTR2AHTR2CHTR7HTR6
Risperidone SCHEMBL5774262 0.85 DRD2 (0.98) DRD2HTR2AHTR2CHTR7HTR6
SCHEMBL801449 0.85 DRD2 (0.85) DRD2HTR2AHTR2CHTR7HTR6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4804663-A PSYCHOLOGICAL DISORDERS JANSSEN PHARMACEUTICA N.V. (BE) 1989-02-14 US disclosed
EP-0196132-A2 1,2-Benzisoxazol-3-yl and 1,2-benzisothiazol-3-yl derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1986-10-01 EP disclosed