SCHEMBL7997512

SCHEMBL7997512

CCCCCCOc1c(OC(C)C)c(=O)n(CC)c2cc([N+](=O)[O-])ccc12

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.43
ACHE P22303 1/20 0.43
CNR2 P34972 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYSLTR2 Q9NS75 1/20 0.42
CYSLTR1 Q9Y271 1/20 0.42
MEN1 O00255 2/20 0.41
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP19A1 P11511 4/20 0.40
LMNA P02545 1/20 0.38
KCNH2 Q12809 1/20 0.36
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
F2RL3 Q96RI0 1/20 0.35
CFTR P13569 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
SCHEMBL8001018 0.96 CYP1A2 (0.44) CNR1ACHECNR2CYP1A2CYSLTR2
SCHEMBL7997262 0.93 CNR1 (0.47) CNR1ACHECNR2CYP1A2CYSLTR2
SCHEMBL8004904 0.93 CNR1 (0.47) CNR1ACHECNR2CYP1A2CYSLTR2
SCHEMBL8001185 0.93 CNR1 (0.45) CNR1ACHECNR2CYP1A2CYSLTR2
SCHEMBL8004909 0.92 CYP1A2 (0.48) CNR1ACHECNR2CYP1A2CYSLTR2
SCHEMBL7998812 0.92 CYP1A2 (0.48) CNR1ACHECNR2CYP1A2CYSLTR2
SCHEMBL8000736 0.91 MAPT (0.46) CNR1ACHECNR2CYP1A2MEN1
SCHEMBL8004389 0.91 MAPT (0.46) CNR1ACHECNR2CYP1A2MEN1
SCHEMBL7997306 0.91 CYP1A2 (0.47) CNR1ACHECNR2CYP1A2CYSLTR2
SCHEMBL8001967 0.91 CYP1A2 (0.47) 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