SCHEMBL6629013

SCHEMBL6629013

O=C1N(c2ccc(OCCC3CCCCN3)nc2)CCN1c1ccc(Cl)c(Cl)c1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.66
HTR2A P28223 4/20 0.66
HTR2B P41595 3/20 0.66
DRD2 P14416 3/20 0.46
KCNH2 Q12809 3/20 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
SLC6A2 P23975 4/20 0.42
SLC6A4 P31645 4/20 0.42
SLC6A3 Q01959 4/20 0.42
SSTR2 P30874 2/20 0.40
MKNK1 Q9BUB5 1/20 0.40

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
SCHEMBL6629306 0.85 HTR2C (0.50) HTR2CHTR2AHTR2BDRD2KCNH2
SCHEMBL3783137 0.80 HTR2C (1.00) HTR2CHTR2AHTR2BKCNH2
SCHEMBL6628271 0.73 HTR2C (0.69) HTR2CHTR2AHTR2BDRD2KCNH2
SCHEMBL6631944 0.73 SSTR2 (0.43) SSTR2MKNK1
SCHEMBL6629920 0.72 HTR2C (0.70) HTR2CHTR2AHTR2BDRD2KCNH2
SCHEMBL6630061 0.72 HTR2C (0.66) HTR2CHTR2AHTR2BDRD2KCNH2
SCHEMBL6608189 0.72 LTA4H (0.49)
Hydrochloric Acid SCHEMBL7323126 0.71 LTA4H (0.48)
SCHEMBL6628642 0.69 HTR2C (0.68) HTR2CHTR2AHTR2BDRD2KCNH2
SCHEMBL6629632 0.69 SMN1; SMN2 (0.41)

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