SCHEMBL6629684

SCHEMBL6629684

COc1ccc(C2CNC(=O)N2c2cccc(F)c2)cc1OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.55
PDE4B Q07343 1/20 0.55
PDE4C Q08493 1/20 0.55
PDE4D Q08499 1/20 0.55
HTR2C P28335 5/20 0.44
HTR2B P41595 4/20 0.42
CTSV O60911 1/20 0.42
CTSL P07711 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
SIRT2 Q8IXJ6 1/20 0.41
HTR2A P28223 2/20 0.41
SMPD1 P17405 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HSD11B1 P28845 1/20 0.40
APP P05067 2/20 0.40
POLB P06746 1/20 0.40
FFAR1 O14842 1/20 0.40
FFAR4 Q5NUL3 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
SCHEMBL6628069 0.93 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DHTR2C
SCHEMBL6628744 0.80 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DHTR2C
SCHEMBL6673289 0.78 HTR2C (0.59) HTR2CHTR2BHTR2A
SCHEMBL6629424 0.75 HTR7 (0.43) HTR2CHTR2BHSD11B1POLB
SCHEMBL6414662 0.75 HTR2C (0.72) HTR2CHTR2BHTR2APOLBFFAR1
SCHEMBL6629267 0.73 HTR2C (0.64) HTR2CHTR2BHTR2A
SCHEMBL6629235 0.73 MAPT (0.55) PDE4APDE4BPDE4CPDE4DTDP1
SCHEMBL6412122 0.72 HTR2C (0.56) PDE4APDE4BPDE4CPDE4DHTR2C
SCHEMBL24167886 0.71 PDE4B (0.54) PDE4APDE4BPDE4CPDE4DHTR2C
SCHEMBL20707986 0.71 PDE4B (0.54) 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