SCHEMBL31479062

SCHEMBL31479062

CCN(C(=O)c1cc(F)ccc1-c1cc(C2CN([C@H](CCC3OCCO3)C(C)C)C2)cc2c1cnn2C)C(C)C

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 7/20 0.31
HTR7 P34969 6/20 0.31
KCNH2 Q12809 5/20 0.31
DRD2 P14416 5/20 0.31
HCRTR1 O43613 4/20 0.31
HCRTR2 O43614 4/20 0.31
MAPK14 Q16539 2/20 0.31

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
SCHEMBL31479602 1.00 HTR2A (0.31) HTR2AHTR7KCNH2DRD2HCRTR1
SCHEMBL31479671 0.89 HCRTR1 (0.32) HCRTR1HCRTR2MAPK14
SCHEMBL31478978 0.88 BCDIN3D (0.30)
SCHEMBL31479416 0.86 HTR2A (0.34) HTR2AHTR7KCNH2DRD2
SCHEMBL31479697 0.86 HTR2A (0.34) HTR2AHTR7KCNH2DRD2
SCHEMBL31479721 0.86 HCRTR1 (0.34) HTR2AHTR7KCNH2DRD2HCRTR1
SCHEMBL31479175 0.86 HCRTR1 (0.34) HTR2AHTR7KCNH2DRD2HCRTR1
SCHEMBL31479002 0.85 HTR2A (0.32) HTR2AHTR7KCNH2DRD2HCRTR1
SCHEMBL31479627 0.85 HTR2A (0.34) HTR2AHTR7KCNH2DRD2HCRTR1
SCHEMBL31479576 0.85 HTR2A (0.32) HTR2AHTR7KCNH2DRD2HCRTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025067111-A1 MENIN-MLL INTERACTION INHIBITOR AND PREPARATION METHOD THEREFOR, AND APPLICATION 苏州必扬医药科技有限公司 2025-04-03 WO disclosed