SCHEMBL6629306

SCHEMBL6629306

O=C1N(c2ccc(Cl)c(Cl)c2)CCN1c1ccc(Br)c(OCCC2CCCCN2)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 11/20 0.50
HTR2A P28223 8/20 0.50
HTR2B P41595 6/20 0.50
DRD2 P14416 2/20 0.46
DRD3 P35462 2/20 0.46
HTR1A P08908 1/20 0.46
CYP2D6 P10635 1/20 0.46
HTR1D P28221 1/20 0.46
HRH1 P35367 1/20 0.46
ADRA1B P35368 1/20 0.46
KCNH2 Q12809 1/20 0.46
SLC6A2 P23975 5/20 0.42
SLC6A4 P31645 5/20 0.42
SLC6A3 Q01959 4/20 0.42

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
SCHEMBL6629013 0.85 HTR2C (0.66) HTR2CHTR2AHTR2BDRD2DRD3
SCHEMBL6411291 0.80 HTR2C (0.76) HTR2CHTR2AHTR2BDRD3ADRA1B
SCHEMBL6628271 0.77 HTR2C (0.69) HTR2CHTR2AHTR2BDRD2DRD3
SCHEMBL6629920 0.76 HTR2C (0.70) HTR2CHTR2AHTR2BDRD2DRD3
SCHEMBL6630061 0.76 HTR2C (0.66) HTR2CHTR2AHTR2BDRD2DRD3
SCHEMBL6628642 0.73 HTR2C (0.68) HTR2CHTR2AHTR2BDRD2DRD3
SCHEMBL6608189 0.72 LTA4H (0.49)
SCHEMBL6628017 0.71 HTR2C (0.69) HTR2CHTR2AHTR2BDRD2DRD3
Hydrochloric Acid SCHEMBL7323126 0.71 LTA4H (0.48)
SCHEMBL11449282 0.70 PIM1 (0.47) CYP2D6

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
EP-1465630-A1 CYCLIC UREA DERIVATIVES WITH 5-HT2C RECEPTOR ACTIVITY GLAXO GROUP LIMITED (GB) 2004-10-13 EP disclosed
WO-2003057220-A1 CYCLIC UREA DERIVATIVES WITH 5-HT2C RECEPTOR ACTIVITY GLAXO GROUP LIMITED (GB) 2003-07-17 WO disclosed