SCHEMBL8001986

SCHEMBL8001986

CCCCCCCCOc1c(OCCCC)c2ccc(NCc3ccccc3)cc2n(CCCCCCCC)c1=O

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.50
PSEN1 P49768 10/20 0.45
PSEN2 P49810 10/20 0.45
APH1B Q8WW43 10/20 0.45
NCSTN Q92542 10/20 0.45
APH1A Q96BI3 10/20 0.45
PSENEN Q9NZ42 10/20 0.45
KDM4E B2RXH2 3/20 0.41
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TP53 P04637 2/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
POLB P06746 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
SCHEMBL7988631 1.00 ADRA2A (0.50) ADRA2APSEN1PSEN2APH1BNCSTN
SCHEMBL7988983 0.99 ADRA2A (0.51) ADRA2APSEN1PSEN2APH1BNCSTN
SCHEMBL8000857 0.99 ADRA2A (0.51) ADRA2APSEN1PSEN2APH1BNCSTN
SCHEMBL8004903 0.94 ADRA2A (0.48) ADRA2APSEN1PSEN2APH1BNCSTN
SCHEMBL8000684 0.94 ADRA2A (0.48) ADRA2APSEN1PSEN2APH1BNCSTN
SCHEMBL7997560 0.92 ADRA2A (0.45) ADRA2APSEN1PSEN2APH1BNCSTN
SCHEMBL7998854 0.92 ADRA2A (0.45) ADRA2APSEN1PSEN2APH1BNCSTN
SCHEMBL8000524 0.90 KDM4E (0.49) ADRA2APSEN1PSEN2APH1BNCSTN
SCHEMBL8001038 0.90 ADRA2A (0.48) ADRA2APSEN1PSEN2APH1BNCSTN
SCHEMBL8001352 0.90 ADRA2A (0.48) ADRA2APSEN1PSEN2APH1BNCSTN

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6114352-A Quinolinone derivative and anti-allergic agent with said quinolinone derivative as the active ingredient DAINIPPON INK AND CHEMICALS, INC. (JP) 2000-09-05 US disclosed
EP-0785190-B1 Quinolinone derivative and antiallergic agent with said quinolinone derivative as the active ingredient DAINIPPON INK & CHEMICALS (JP) 2000-08-16 EP disclosed
US-5942521-A Quinolinone derivative and anti-allergic agent with said quinolinone derivative as the active ingredient DAINIPPON INK AND CHEMICALS, INC. (JP) 1999-08-24 US disclosed
EP-0785190-A2 Quinolinone derivative and antiallergic agent with said quinolinone derivative as the active ingredient DAINIPPON INK AND CHEMICALS, INC. (JP) 1997-07-23 EP disclosed