SCHEMBL6628271

SCHEMBL6628271

COc1ccc(N2CCN(c3ccccc3Cl)C2=O)cc1OCCC1CCCCN1

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 19/20 0.69
HTR2A P28223 12/20 0.69
HTR2B P41595 13/20 0.59
HTR1A P08908 1/20 0.45
CYP2D6 P10635 1/20 0.45
DRD2 P14416 1/20 0.45
HTR1D P28221 1/20 0.45
HRH1 P35367 1/20 0.45
ADRA1B P35368 1/20 0.45
DRD3 P35462 1/20 0.45
KCNH2 Q12809 1/20 0.45

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
SCHEMBL6629920 0.93 HTR2C (0.70) HTR2CHTR2AHTR2BHTR1ACYP2D6
SCHEMBL6630061 0.89 HTR2C (0.66) HTR2CHTR2AHTR2BHTR1ACYP2D6
SCHEMBL6628642 0.84 HTR2C (0.68) HTR2CHTR2AHTR2BHTR1ACYP2D6
SCHEMBL6413768 0.82 HTR2C (1.00) HTR2CHTR2AHTR2BADRA1BDRD3
SCHEMBL6628017 0.80 HTR2C (0.69) HTR2CHTR2AHTR2BDRD2DRD3
SCHEMBL6407757 0.77 HTR2C (0.69) HTR2CHTR2AHTR2B
SCHEMBL6629306 0.77 HTR2C (0.50) HTR2CHTR2AHTR2BHTR1ACYP2D6
SCHEMBL6410940 0.75 HTR2C (1.00) HTR2CHTR2AHTR2BADRA1BDRD3
SCHEMBL11449105 0.74 CHRNB4 (0.68)
SCHEMBL6629013 0.73 HTR2C (0.66) HTR2CHTR2AHTR2BHTR1ACYP2D6

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