SCHEMBL6579280

SCHEMBL6579280

C=CCCCCOCC(=O)N(CCCC)c1cc(N)ccc1C(=O)OCC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.37
CYP2D6 P10635 2/20 0.37
SCN1A P35498 2/20 0.37
SCN2A Q99250 2/20 0.37
SCN3A Q9NY46 2/20 0.37
CHRM2 P08172 2/20 0.36
KCNH2 Q12809 2/20 0.36
MAOA P21397 2/20 0.36
CHRM3 P20309 1/20 0.36
HTR2C P28335 1/20 0.36
CHRNA4 P43681 1/20 0.36
HTR3A P46098 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
LMNA P02545 5/20 0.36
CYP3A4 P08684 4/20 0.36
GAA P10253 2/20 0.36
HTR1A P08908 1/20 0.36
DRD3 P35462 1/20 0.36
SLC6A3 Q01959 1/20 0.36
ALDH1A1 P00352 5/20 0.34

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
SCHEMBL6578826 0.96 CYP1A2 (0.39) CYP1A2CYP2D6SCN1ASCN2ASCN3A
SCHEMBL6576926 0.94 CYP1A2 (0.38) CYP1A2CYP2D6SCN1ASCN2ASCN3A
SCHEMBL6579643 0.88 CYP1A2 (0.41) CYP1A2CYP2D6SCN1ASCN2ASCN3A
SCHEMBL6579010 0.87 MAOA (0.33) CYP1A2CYP2D6SCN1ASCN2ASCN3A
SCHEMBL6579894 0.87 ALDH1A1 (0.40) CYP1A2CYP2D6SCN1ASCN2ASCN3A
SCHEMBL6577138 0.86 MAOA (0.36) CYP1A2CYP2D6SCN1ASCN2ASCN3A
SCHEMBL6579039 0.86 ALDH1A1 (0.43) CYP1A2CYP2D6SCN1ASCN2ASCN3A
SCHEMBL6579572 0.86 ALDH1A1 (0.43) CYP1A2CYP2D6SCN1ASCN2ASCN3A
SCHEMBL6579864 0.85 SMN1; SMN2 (0.42) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL6580988 0.83 CYP1A2 (0.45) CYP1A2CYP2D6SCN1ASCN2ASCN3A

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