SCHEMBL31589397

SCHEMBL31589397

O=C(O)N1CCN(c2ccc(-c3ccc(F)cc3)cn2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.52
DRD4 P21917 1/20 0.52
HTR2A P28223 1/20 0.52
SLC6A4 P31645 1/20 0.52
DRD3 P35462 1/20 0.52
ME2 P23368 2/20 0.51
ME1 P48163 2/20 0.51
ME3 Q16798 2/20 0.51
TDO2 P48775 2/20 0.49
SLC6A7 Q99884 3/20 0.48
MGLL Q99685 5/20 0.47
KDM4E B2RXH2 2/20 0.46
PKM P14618 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
AOC3 Q16853 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPK1 P28482 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
WNT3A P56704 1/20 0.44

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
SCHEMBL31589274 0.89 MGLL (0.53) HTR1ADRD4HTR2ASLC6A4DRD3
SCHEMBL3442393 0.88 MGLL (0.58) HTR1ADRD4HTR2ASLC6A4DRD3
SCHEMBL20141494 0.88 HRH3 (0.53) ME2ME1ME3KDM4EPKM
SCHEMBL31590771 0.87 MGLL (0.61) ME2ME1ME3TDO2MGLL
SCHEMBL5235945 0.86 MGLL (0.57) ME2ME1ME3SLC6A7MGLL
SCHEMBL5232948 0.85 MGLL (0.60) SLC6A7MGLLKDM4EPKMMEN1
SCHEMBL16655737 0.84 SLC6A7 (0.59) SLC6A7KDM4EPKMMEN1KMT2A
SCHEMBL31589961 0.82 EGLN1 (0.55) ME2ME1ME3SLC6A7MGLL
SCHEMBL31589940 0.82 MGLL (0.63) MGLLWNT3A
SCHEMBL5232866 0.82 PANK3 (0.47) SLC6A7MGLLKDM4EMEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025108106-A1 COMPOUND CONTAINING QUINOLINONE SKELETON AND USE THEREOF 中国药科大学 2025-05-30 WO disclosed
CN-120040415-A Compound containing quinolinone skeleton and application thereof 中国药科大学 2025-05-27 CN disclosed