SCHEMBL3838947

SCHEMBL3838947

O=C(O)NCC1CN(CCc2nc3ccc(F)cc3[nH]c2=O)CCC1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.40
SLC40A1 Q9NP59 1/20 0.39
HRH4 Q9H3N8 2/20 0.37
HRH3 Q9Y5N1 1/20 0.37
PARP1 P09874 5/20 0.36
PARP2 Q9UGN5 5/20 0.36
KCNH2 Q12809 2/20 0.36
EGFR P00533 2/20 0.36
LMNA P02545 2/20 0.35
MAPK1 P28482 1/20 0.35
PARP3 Q9Y6F1 2/20 0.35
PLD2 O14939 1/20 0.35
PLD1 Q13393 1/20 0.35
PDE10A Q9Y233 1/20 0.34
TNKS O95271 1/20 0.34
PARP6 Q2NL67 1/20 0.34
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34
CCR3 P51677 2/20 0.34
MMP2 P08253 1/20 0.34

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
SCHEMBL3847577 0.83 SLC40A1 (0.39) MPOSLC40A1HRH4HRH3PARP1
SCHEMBL4439862 0.74 POLB (0.43) KCNH2EGFR
SCHEMBL4301434 0.74 KCNH2 (0.46) KCNH2
SCHEMBL5047682 0.73 CCR3 (0.41) LMNACCR3TSHR
SCHEMBL3847249 0.73 HRH4 (0.42) MPOHRH4HRH3PARP1PARP2
SCHEMBL4296917 0.73 KCNH2 (0.38) KCNH2CCR3
SCHEMBL4298230 0.73 KCNH2 (0.38) KCNH2CCR3
SCHEMBL4758202 0.72 POLB (0.43) KCNH2EGFR
SCHEMBL3843563 0.72 CCNT1 (0.39) SLC40A1HRH4HRH3PARP1PARP2
SCHEMBL5047886 0.69 SIGMAR1 (0.38) HRH4HRH3PARP1PARP2KCNH2

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-2044077-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES Glaxo Group Limited (GB) 2009-04-08 EP disclosed
WO-2008009700-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES GLAXO GROUP LIMITED (GB) 2008-01-24 WO disclosed