SCHEMBL6628017

SCHEMBL6628017

COc1ccc(N2CCN(c3ccc(C)c(C(F)(F)F)c3)C2=O)cc1OCCC1CCCCN1

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 19/20 0.69
HTR2B P41595 12/20 0.69
HTR2A P28223 12/20 0.69
DRD2 P14416 1/20 0.44
DRD3 P35462 1/20 0.44

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
SCHEMBL6630061 0.85 HTR2C (0.66) HTR2CHTR2BHTR2ADRD2DRD3
SCHEMBL6628642 0.83 HTR2C (0.68) HTR2CHTR2BHTR2ADRD2DRD3
SCHEMBL6408224 0.82 HTR2C (1.00) HTR2CHTR2BHTR2A
SCHEMBL6628271 0.80 HTR2C (0.69) HTR2CHTR2BHTR2ADRD2DRD3
SCHEMBL6629920 0.79 HTR2C (0.70) HTR2CHTR2BHTR2ADRD2DRD3
SCHEMBL6412082 0.79 HTR2C (1.00) HTR2CHTR2BHTR2A
SCHEMBL6412104 0.76 HTR2C (0.67) HTR2CHTR2BHTR2A
SCHEMBL11467627 0.76 CHRNB4 (0.48) HTR2CHTR2ADRD2DRD3
SCHEMBL6414633 0.73 HTR2C (0.62) HTR2CHTR2BHTR2A
SCHEMBL11457031 0.73 CHRNB4 (0.52) HTR2CHTR2A

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