SCHEMBL8004450

SCHEMBL8004450

CCCCCCCCOc1c(OCC=C(C)C)c2ccc(NCc3ccccc3)cc2n(CCCCCCCC)c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.43
PSEN1 P49768 8/20 0.39
PSEN2 P49810 8/20 0.39
APH1B Q8WW43 8/20 0.39
NCSTN Q92542 8/20 0.39
APH1A Q96BI3 8/20 0.39
PSENEN Q9NZ42 8/20 0.39
KDM4E B2RXH2 4/20 0.38
HTT P42858 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TP53 P04637 2/20 0.38
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
POLB P06746 1/20 0.37
NPC1 O15118 1/20 0.36
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
MAPK1 P28482 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL8079821 1.00 ADRA2A (0.43) ADRA2APSEN1PSEN2APH1BNCSTN
SCHEMBL8076366 0.94 ADRA2A (0.42) ADRA2APSEN1PSEN2APH1BNCSTN
SCHEMBL8002134 0.93 ADRA2A (0.40) ADRA2APSEN1PSEN2APH1BNCSTN
SCHEMBL8004160 0.93 ADRA2A (0.40) ADRA2APSEN1PSEN2APH1BNCSTN
SCHEMBL8000729 0.93 ADRA2A (0.40) ADRA2APSEN1PSEN2APH1BNCSTN
SCHEMBL8000725 0.93 ADRA2A (0.40) ADRA2APSEN1PSEN2APH1BNCSTN
SCHEMBL8004156 0.93 ADRA2A (0.40) ADRA2APSEN1PSEN2APH1BNCSTN
SCHEMBL8002137 0.93 ADRA2A (0.40) ADRA2APSEN1PSEN2APH1BNCSTN
SCHEMBL7999949 0.92 ADRA2A (0.40) ADRA2APSEN1PSEN2APH1BNCSTN
SCHEMBL7999954 0.92 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