SCHEMBL31479002

SCHEMBL31479002

CCN(C(=O)c1cc(F)ccc1-c1cc(C2CN([C@H](CN3CCN(CCF)CC3)C(C)C)C2)cc2c1cnn2C)C(C)C

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 14/20 0.32
HTR7 P34969 13/20 0.32
KCNH2 Q12809 10/20 0.32
DRD2 P14416 9/20 0.32
HCRTR1 O43613 2/20 0.32
HCRTR2 O43614 2/20 0.32
MAPK14 Q16539 2/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL31479627 0.95 HTR2A (0.34) HTR2AHTR7KCNH2DRD2HCRTR1
SCHEMBL31479316 0.95 HTR2A (0.34) HTR2AHTR7KCNH2DRD2HCRTR1
SCHEMBL31479175 0.95 HCRTR1 (0.34) HTR2AHTR7KCNH2DRD2HCRTR1
SCHEMBL31479721 0.95 HCRTR1 (0.34) HTR2AHTR7KCNH2DRD2HCRTR1
SCHEMBL31479636 0.92 HTR2A (0.32) HTR2AHTR7KCNH2DRD2HCRTR1
SCHEMBL31479576 0.92 HTR2A (0.32) HTR2AHTR7KCNH2DRD2HCRTR1
SCHEMBL31479697 0.90 HTR2A (0.34) HTR2AHTR7KCNH2DRD2
SCHEMBL31479416 0.90 HTR2A (0.34) HTR2AHTR7KCNH2DRD2
SCHEMBL31479562 0.90 PLK1 (0.34) MAPK14
SCHEMBL31479235 0.90 PLK1 (0.34) MAPK14

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