SCHEMBL6628744

SCHEMBL6628744

COc1ccc(C2NC(=O)N(c3cccc(F)c3)C2=O)cc1OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.51
PDE4B Q07343 1/20 0.51
PDE4C Q08493 1/20 0.51
PDE4D Q08499 1/20 0.51
HTR2C P28335 6/20 0.49
TDP1 Q9NUW8 1/20 0.44
SIRT2 Q8IXJ6 1/20 0.44
HTR2B P41595 4/20 0.43
ALDH1A1 P00352 2/20 0.42
HSD17B10 Q99714 2/20 0.42
MAPT P10636 1/20 0.42
KDM4C Q9H3R0 1/20 0.42
HTR2A P28223 2/20 0.42
LMNA P02545 1/20 0.41
APP P05067 2/20 0.41
AR P10275 1/20 0.41
FFAR1 O14842 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
EGFR P00533 1/20 0.41
CTSV O60911 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
SCHEMBL6633675 0.81 MAPT (0.46) HTR2CTDP1HTR2BALDH1A1MAPT
SCHEMBL6629684 0.80 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DHTR2C
SCHEMBL6412122 0.77 HTR2C (0.56) PDE4APDE4BPDE4CPDE4DHTR2C
SCHEMBL6414662 0.76 HTR2C (0.72) HTR2CHTR2BHSD17B10HTR2AFFAR1
SCHEMBL6628069 0.73 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DHTR2C
SCHEMBL5227131 0.73 MET (0.51)
SCHEMBL30002764 0.71 FFAR1 (0.66) TDP1ALDH1A1HSD17B10MAPTLMNA
SCHEMBL4228617 0.71 FFAR1 (0.66) TDP1ALDH1A1HSD17B10MAPTLMNA
SCHEMBL6417254 0.68 HTR2C (0.71) HTR2CHTR2BHTR2A
SCHEMBL3896352 0.68 PDE4A (0.66) PDE4APDE4BPDE4CPDE4DALDH1A1

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