SCHEMBL28480481

SCHEMBL28480481

Fc1ccc(N2CCN(CCCC3C=Cc4ccccc4C3)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 7/20 0.50
DRD2 P14416 3/20 0.50
HTR2A P28223 3/20 0.50
DRD3 P35462 3/20 0.50
DRD1 P21728 2/20 0.50
ADRA2A P08913 1/20 0.50
ADRA2B P18089 1/20 0.50
ADRA2C P18825 1/20 0.50
DRD4 P21917 1/20 0.50
ADRA1D P25100 1/20 0.50
ADRA1A P35348 1/20 0.50
ADRA1B P35368 1/20 0.50
HTR2B P41595 1/20 0.50
GRIN1 Q05586 1/20 0.47
GRIN2B Q13224 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
TMEM97 Q5BJF2 2/20 0.46
SIGMAR1 Q99720 2/20 0.46
HRH1 P35367 1/20 0.46

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
SCHEMBL7818006 0.75 HTR1A (0.48) HTR1ADRD2HTR2ADRD3ADRA2A
SCHEMBL8011318 0.72 DRD2 (0.69) HTR1ADRD2HTR2ADRD3DRD1
SCHEMBL27360459 0.68 DRD2 (0.60) HTR1ADRD2HTR2ADRD3DRD1
SCHEMBL7821213 0.68 GRIN1 (0.50) HTR1ADRD2HTR2ADRD3DRD1
SCHEMBL27260845 0.68 PARP1 (0.33)
SCHEMBL2095204 0.67 DRD2 (0.58) HTR1ADRD2HTR2ADRD3DRD1
SCHEMBL10661045 0.67 DRD2 (0.58) HTR1ADRD2HTR2ADRD3DRD1
SCHEMBL28918989 0.67 DRD2 (0.58) HTR1ADRD2HTR2ADRD3DRD1
SCHEMBL7653085 0.67 CYP2D6 (0.70) HTR1ADRD2HTR2ADRD3DRD1
SCHEMBL8223307 0.67 KDM4E (0.62) HTR1ADRD2HTR2ADRD3DRD1

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
CN-111886025-A Use of serotonergic agents for the treatment of virus-induced thrombocytopenia 新加坡国立大学 2020-11-03 CN claimed
CN-111886025-A Use of serotonergic agents for the treatment of virus-induced thrombocytopenia 新加坡国立大学 2020-11-03 CN disclosed