SCHEMBL5543136

SCHEMBL5543136

COc1cc(N2CCNCC2=O)c2ncccc2n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.39
HTR2A P28223 2/20 0.36
HTR2C P28335 2/20 0.36
SLC6A4 P31645 1/20 0.36
PIM1 P11309 2/20 0.36
ALOX5 P09917 2/20 0.36
PRMT5 O14744 2/20 0.34
HRH4 Q9H3N8 1/20 0.33
NCF1 P14598 2/20 0.33
PIK3CA P42336 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
NFKB1 P19838 1/20 0.33
THPO P40225 1/20 0.33
HIF1A Q16665 1/20 0.33
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
BLM P54132 1/20 0.32
SOS1 Q07889 1/20 0.32
TOP1 P11387 1/20 0.32

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
SCHEMBL1223922 0.75 NCF1 (0.40) ALOX5NCF1PIK3CA
SCHEMBL8276483 0.70 DRD2 (0.58) HTR6HTR2AHTR2CLMNAMAPT
SCHEMBL15007043 0.70 ALOX5 (0.54) HTR6HTR2AHTR2CPIM1ALOX5
Hydrochloric Acid SCHEMBL10705356 0.69 ATM (0.59) HTR6HTR2AHTR2CLMNAMAPT
SCHEMBL900373 0.68 NCF1 (0.62) HTR6HTR2CPIM1NCF1CYP3A4
SCHEMBL3594508 0.67 CHRNB2 (0.56) SLC6A4
SCHEMBL13271032 0.66 ALDH1A1 (0.56) PRMT5LMNAMAPTBLMTOP1
Hydrochloric Acid SCHEMBL1583990 0.66 CHRNB2 (0.54) SLC6A4
SCHEMBL3656587 0.66 HTR6 (0.46) HTR6HTR2AHTR2CLMNAMAPT
SCHEMBL6767507 0.66 ALDH1A1 (0.48) SLC6A4PIM1PRMT5CYP3A4TSHR

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-1846411-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2007-10-24 EP disclosed
WO-2006081289-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2006-08-03 WO disclosed