SCHEMBL6628069

SCHEMBL6628069

COc1ccc(C2CNC(=O)N2c2cccc(F)c2)cc1OCCOCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 4/20 0.47
PDE4B Q07343 2/20 0.47
PDE4C Q08493 2/20 0.47
PDE4D Q08499 2/20 0.47
HTR2C P28335 8/20 0.46
HTR2B P41595 6/20 0.44
HTR2A P28223 3/20 0.42
REN P00797 3/20 0.38
HSD11B1 P28845 1/20 0.38

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
SCHEMBL6629684 0.93 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DHTR2C
SCHEMBL6673289 0.79 HTR2C (0.59) HTR2CHTR2BHTR2A
SCHEMBL6417254 0.78 HTR2C (0.71) HTR2CHTR2BHTR2A
SCHEMBL6629267 0.74 HTR2C (0.64) HTR2CHTR2BHTR2A
SCHEMBL6628744 0.73 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DHTR2C
SCHEMBL7913451 0.72 PDE4A (0.57) PDE4APDE4BPDE4CPDE4D
SCHEMBL6583531 0.72 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DREN
SCHEMBL6629424 0.72 HTR7 (0.43) HTR2CHTR2BHSD11B1
SCHEMBL6629235 0.70 MAPT (0.55) PDE4APDE4BPDE4CPDE4D
SCHEMBL6583511 0.70 PDE4B (0.44) PDE4APDE4BPDE4CPDE4DHTR2C

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