SCHEMBL6581222

SCHEMBL6581222

C=CCCCCNc1ccc(C(=O)OCC)c(N(CCCC)C(=O)COCCC=C)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.36
CYP1A2 P05177 3/20 0.36
SCN5A Q14524 2/20 0.36
MAOA P21397 1/20 0.36
CNR1 P21554 1/20 0.36
DRD4 P21917 1/20 0.36
ACHE P22303 1/20 0.36
HRH2 P25021 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
MAPK1 P28482 1/20 0.36
NTSR1 P30989 1/20 0.36
HRH1 P35367 1/20 0.36
DRD3 P35462 1/20 0.36
SCN1A P35498 1/20 0.36
HTR2B P41595 1/20 0.36
SCN7A Q01118 1/20 0.36
SLC6A3 Q01959 1/20 0.36
KCNH2 Q12809 1/20 0.36
SCN9A Q15858 1/20 0.36

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
SCHEMBL6581167 0.91 LMNA (0.35) LMNACYP1A2SCN5AMAOACNR1
SCHEMBL6579046 0.91 LMNA (0.35) LMNACYP1A2SCN5AMAOACNR1
SCHEMBL6579279 0.90 LMNA (0.35) LMNACYP1A2SCN5AMAOACNR1
SCHEMBL6581870 0.89 LMNA (0.33) LMNACYP1A2SCN5AMAOACNR1
SCHEMBL6577376 0.89 LMNA (0.33) LMNACYP1A2SCN5AMAOACNR1
SCHEMBL7998601 0.87 TSHR (0.39) LMNACYP1A2MAPK1KDM4ERAB9A
SCHEMBL7985121 0.86 CNR1 (0.36) LMNACYP1A2CNR1MAPK1KDM4E
SCHEMBL6579680 0.86 HPGD (0.39) LMNACYP1A2MAPK1RAB9AHPGD
SCHEMBL6582259 0.86 TRPV1 (0.35) MAOA
SCHEMBL6582265 0.86 TRPV1 (0.35) MAOA

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
EP-0927718-B1 Quinolinone derivative, method for preparing the same, and anti-allergic agent DAINIPPON INK & CHEMICALS (JP) 2004-02-25 EP disclosed
US-6271416-B1 O-(HYDROCARBONOXYACETAMIDO)BENZOIC ACID DERIVATIVES AS INTERMEDIATES DAINIPPON INK AND CHEMICALS, INC. (JP) 2001-08-07 US disclosed
US-6136822-A ETHER, HYDROXY QUINOLINONE COMPOUNDS DAINIPPON INK AND CHEMICALS, INC. (JP) 2000-10-24 US disclosed
EP-0927718-A1 Quinolinone derivative, method for preparing the same, and anti-allergic agent DAINIPPON INK AND CHEMICALS, INC. (JP) 1999-07-07 EP disclosed