SCHEMBL7294274

SCHEMBL7294274

Cc1nc2n(c(=O)c1CCN1CCC(c3noc4ccccc34)CC1)CCS2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 16/20 0.57
HTR2A P28223 16/20 0.57
HTR1A P08908 10/20 0.55
ADRA2A P08913 2/20 0.55
ADRA2B P18089 2/20 0.55
ADRA2C P18825 2/20 0.55
DRD1 P21728 2/20 0.55
DRD4 P21917 2/20 0.55
DRD5 P21918 2/20 0.55
HTR1D P28221 2/20 0.55
HTR1B P28222 2/20 0.55
HTR2C P28335 2/20 0.55
HTR7 P34969 2/20 0.55
ADRA1A P35348 2/20 0.55
HRH1 P35367 2/20 0.55
DRD3 P35462 2/20 0.55
KCNH2 Q12809 2/20 0.55
SCN5A Q14524 2/20 0.55
SLC22A2 O15244 1/20 0.55
CACNA1F O60840 1/20 0.55

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 0.88 DRD2 (0.72) DRD2HTR2AHTR1AADRA2AADRA2B
SCHEMBL7323722 0.83 DRD2 (0.75) DRD2HTR2AHTR1AADRA2AADRA2B
SCHEMBL7292040 0.82 DRD2 (0.79) DRD2HTR2AHTR1AADRA2AADRA2B
SCHEMBL7293956 0.80 ADRA2A (0.59) DRD2HTR2AHTR1AADRA2AADRA2B
SCHEMBL10924509 0.79 ADRA1D (0.48) DRD2HTR2AHTR1AADRA1DSLC6A4
SCHEMBL7697170 0.75 DRD2 (0.53) DRD2HTR2AHTR1AADRA2AADRA2B
SCHEMBL9492109 0.75 DRD2 (0.51) DRD2HTR2AHTR1AADRA2AADRA2B
SCHEMBL9202999 0.75 DRD2 (0.51) DRD2HTR2AHTR1AADRA2AADRA2B
SCHEMBL12786171 0.74 DRD2 (0.53) DRD2HTR2AHTR1AHTR2CADRA1A
SCHEMBL10952899 0.74 HTR1A (0.51) DRD2HTR2AHTR1AADRA1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0196132-B1 1,2-BENZISOXAZOL-3-YL AND 1,2-BENZISOTHIAZOL-3-YL DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1992-08-12 EP disclosed
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