SCHEMBL8001680

SCHEMBL8001680

CCCCCCCCn1c(=O)c(OCC(C)CCC)c(OC/C=C(\C)CCC=C(C)C)c2ccc(NCc3ccccc3)cc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.36
PSEN1 P49768 7/20 0.33
PSEN2 P49810 7/20 0.33
APH1B Q8WW43 7/20 0.33
NCSTN Q92542 7/20 0.33
APH1A Q96BI3 7/20 0.33
PSENEN Q9NZ42 7/20 0.33
CYP3A4 P08684 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
ALOX15 P16050 2/20 0.33
MAPT P10636 2/20 0.33
KDM4E B2RXH2 2/20 0.33
CYP2E1 P05181 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
CYP2B6 P20813 1/20 0.33
CYP3A5 P20815 1/20 0.33
CYP2C19 P33261 1/20 0.33
BACE1 P56817 1/20 0.33

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
SCHEMBL8001686 1.00 ADRA2A (0.36) ADRA2APSEN1PSEN2APH1BNCSTN
SCHEMBL7999001 0.94 ADRA2A (0.40) ADRA2APSEN1PSEN2APH1BNCSTN
SCHEMBL7999128 0.93 ADRA2A (0.41) ADRA2APSEN1PSEN2APH1BNCSTN
SCHEMBL7999125 0.93 ADRA2A (0.41) ADRA2APSEN1PSEN2APH1BNCSTN
SCHEMBL8002077 0.92 ADRA2A (0.41) ADRA2APSEN1PSEN2APH1BNCSTN
SCHEMBL8002082 0.92 ADRA2A (0.41) ADRA2APSEN1PSEN2APH1BNCSTN
SCHEMBL7999949 0.91 ADRA2A (0.40) ADRA2APSEN1PSEN2APH1BNCSTN
SCHEMBL8000729 0.91 ADRA2A (0.40) ADRA2APSEN1PSEN2APH1BNCSTN
SCHEMBL8004156 0.91 ADRA2A (0.40) ADRA2APSEN1PSEN2APH1BNCSTN
SCHEMBL8000725 0.91 ADRA2A (0.40) 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