SCHEMBL7997449

SCHEMBL7997449

CCCCCCCCOc1c(OCC=C(C)C)c2ccc([N+](=O)[O-])cc2n(CC)c1=O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.41
ACHE P22303 1/20 0.41
CNR2 P34972 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYSLTR2 Q9NS75 1/20 0.40
CYSLTR1 Q9Y271 1/20 0.40
MEN1 O00255 2/20 0.38
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP19A1 P11511 4/20 0.38
LMNA P02545 1/20 0.36
KCNH2 Q12809 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
PLA2G4B P0C869 1/20 0.33
F2RL3 Q96RI0 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
SCHEMBL7997843 1.00 CNR1 (0.41) CNR1ACHECNR2CYP1A2CYSLTR2
SCHEMBL8000565 0.96 CYP1A2 (0.41) CNR1ACHECNR2CYP1A2CYSLTR2
SCHEMBL8001177 0.94 CNR1 (0.44) CNR1ACHECNR2CYP1A2CYSLTR2
SCHEMBL7998901 0.94 CNR1 (0.44) CNR1ACHECNR2CYP1A2CYSLTR2
SCHEMBL7988463 0.94 CNR1 (0.42) CNR1ACHECNR2CYP1A2CYSLTR2
SCHEMBL7988395 0.94 CNR1 (0.44) CNR1ACHECNR2CYP1A2CYSLTR2
SCHEMBL8000897 0.94 CNR1 (0.44) CNR1ACHECNR2CYP1A2CYSLTR2
SCHEMBL7997603 0.94 CNR1 (0.42) CNR1ACHECNR2CYP1A2CYSLTR2
SCHEMBL8004350 0.92 CYSLTR2 (0.40) CNR1ACHECNR2CYP1A2CYSLTR2
SCHEMBL8004347 0.92 CYSLTR2 (0.40) CNR1ACHECNR2CYP1A2CYSLTR2

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