SCHEMBL9199749

SCHEMBL9199749

Cc1nc2n(c(=O)c1CCN1CCN(c3noc4cc(F)ccc34)CC1)CCS2

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 19/20 0.67
DRD2 P14416 18/20 0.67
HTR1A P08908 8/20 0.53
HTR7 P34969 6/20 0.53
KCNH2 Q12809 3/20 0.53
ADRA2A P08913 2/20 0.53
ADRA2B P18089 2/20 0.53
ADRA2C P18825 2/20 0.53
DRD1 P21728 2/20 0.53
DRD4 P21917 2/20 0.53
DRD5 P21918 2/20 0.53
HTR1D P28221 2/20 0.53
HTR1B P28222 2/20 0.53
HTR2C P28335 2/20 0.53
ADRA1A P35348 2/20 0.53
HRH1 P35367 2/20 0.53
DRD3 P35462 2/20 0.53
SCN5A Q14524 2/20 0.53
HTR6 P50406 2/20 0.53
SLC22A2 O15244 1/20 0.53

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 0.86 DRD2 (0.72) HTR2ADRD2HTR1AHTR7KCNH2
SCHEMBL23696404 0.83 DRD2 (0.75) HTR2ADRD2HTR1AHTR7KCNH2
SCHEMBL7323722 0.81 DRD2 (0.75) HTR2ADRD2HTR1AHTR7KCNH2
SCHEMBL23696403 0.80 HTR2A (1.00) HTR2ADRD2HTR1AHTR7KCNH2
SCHEMBL27678555 0.80 DRD2 (0.44) HTR2ADRD2HTR1AHTR7KCNH2
SCHEMBL7697170 0.80 DRD2 (0.53) HTR2ADRD2HTR1AHTR7KCNH2
SCHEMBL23696620 0.79 HTR2A (0.69) HTR2ADRD2HTR1AHTR7KCNH2
SCHEMBL12786171 0.77 DRD2 (0.53) HTR2ADRD2HTR1AKCNH2HTR2C
SCHEMBL9772524 0.77 DRD2 (0.51) HTR2ADRD2HTR1AKCNH2HTR2C
SCHEMBL8807852 0.77 HTR2A (0.54) HTR2ADRD2HTR1AHTR7KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0353821-B1 Antipsychotic 3-piperazinyl-benzazole derivatives JANSSEN PHARMACEUTICA NV (BE) 1995-05-10 EP disclosed
US-5015740-A Psychological disorders JANSSEN PHARMACEUTICA N.V. (BE) 1991-05-14 US disclosed
US-4957916-A DISORDERS CONNECTED WITH DOPAMINE AND/OR SEROTONIN RELEASE JANSSEN PHARMACEUTICA N.V. (BE) 1990-09-18 US disclosed
EP-0353821-A2 Antipsychotic 3-piperazinyl-benzazole derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1990-02-07 EP disclosed