SCHEMBL31479577

SCHEMBL31479577

CCN(C(=O)c1cc(F)ccc1-c1cc(C2CN([C@H](CCCN3CCN(C(C)=O)CC3)C(C)C)C2)cn2c(C)ncc12)C(C)C

nearest known ligand 0.31

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.31
HTR2A P28223 2/20 0.31
KIF11 P52732 1/20 0.31
HTR7 P34969 1/20 0.31
FAAH O00519 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
TSHR P16473 1/20 0.30
ALOX12 P18054 1/20 0.30
MAPK1 P28482 1/20 0.30
MTOR P42345 1/20 0.30
RAB9A P51151 1/20 0.30
HCRTR1 O43613 1/20 0.30
HCRTR2 O43614 1/20 0.30
SIGMAR1 Q99720 1/20 0.30
MEN1 O00255 1/20 0.30
BLM P54132 1/20 0.30
PMP22 Q01453 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL31479215 1.00 DRD2 (0.31) DRD2HTR2AKIF11HTR7FAAH
SCHEMBL31479356 0.94 HCRTR1 (0.33) DRD2HTR2AHTR7HCRTR1HCRTR2
SCHEMBL31479047 0.94 HCRTR1 (0.33) DRD2HTR2AHTR7HCRTR1HCRTR2
SCHEMBL31479408 0.94 HTR2A (0.32) DRD2HTR2AHTR7HCRTR1HCRTR2
SCHEMBL31479435 0.94 HTR2A (0.32) DRD2HTR2AHTR7HCRTR1HCRTR2
SCHEMBL31479507 0.94 HTR2A (0.32) DRD2HTR2AHTR7HCRTR1HCRTR2
SCHEMBL31479091 0.92 HTR2A (0.33) DRD2HTR2AHTR7HCRTR1HCRTR2
SCHEMBL31479847 0.91 LMNA (0.34) SMN1; SMN2
SCHEMBL31478990 0.91 LMNA (0.34) SMN1; SMN2
SCHEMBL31479582 0.91 HTR2A (0.34) DRD2HTR2AHTR7HCRTR1HCRTR2

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