SCHEMBL8000764

SCHEMBL8000764

CC=C(CC)Oc1c(OCC(C)CCC)c(=O)n(C)c2cc([N+](=O)[O-])ccc12

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.38
CNR1 P21554 4/20 0.38
ACHE P22303 4/20 0.38
MAPT P10636 6/20 0.33
POLB P06746 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
CYP1A2 P05177 1/20 0.32
LMNA P02545 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
GAA P10253 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
F2RL3 Q96RI0 1/20 0.31

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
SCHEMBL8004464 0.90 CYP1A2 (0.38) CNR2CNR1ACHEMAPTCYP1A2
SCHEMBL7998874 0.90 CNR1 (0.39) CNR2CNR1ACHEMAPTPOLB
SCHEMBL8004508 0.88 CNR2 (0.42) CNR2CNR1ACHEMAPTCYP1A2
SCHEMBL7998816 0.88 CNR2 (0.42) CNR2CNR1ACHEMAPTCYP1A2
SCHEMBL7999732 0.86 CNR1 (0.45) CNR2CNR1ACHEMAPTPOLB
SCHEMBL8004606 0.86 ACHE (0.37) CNR2CNR1ACHEMAPTPOLB
SCHEMBL7999452 0.85 TTR (0.36)
SCHEMBL8000877 0.85 CYP1A2 (0.36) CNR2CNR1ACHEMAPTPOLB
SCHEMBL8000837 0.84 CNR1 (0.48) CNR2CNR1ACHEMAPTPOLB
SCHEMBL8004298 0.84 CNR1 (0.48) CNR2CNR1ACHEMAPTPOLB

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