SCHEMBL31479799

SCHEMBL31479799

CCN(C(=O)c1cc(F)ccc1-c1cc(N2CCN(CCC3CCC(N)CC3)CC2)cn2c(C)ncc12)C(C)C

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KCNH2 Q12809 1/20 0.36
DRD2 P14416 11/20 0.33
DRD3 P35462 7/20 0.33
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
HTR2A P28223 7/20 0.32
HTR1A P08908 6/20 0.32
HTR7 P34969 4/20 0.32
HTR6 P50406 4/20 0.32

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
SCHEMBL31479336 0.90 MEN1 (0.47) MEN1KMT2AKCNH2DRD2DRD3
SCHEMBL31479756 0.90 HCRTR1 (0.36) MEN1KMT2AKCNH2HCRTR1HCRTR2
SCHEMBL31479635 0.88 DRD2 (0.41) MEN1KMT2AKCNH2DRD2DRD3
SCHEMBL31479594 0.86 MEN1 (0.41) MEN1KMT2AKCNH2HCRTR1HCRTR2
SCHEMBL31479294 0.85 HCRTR1 (0.36) MEN1KMT2AKCNH2HCRTR1HCRTR2
SCHEMBL31479717 0.83 MEN1 (0.39) MEN1KMT2AKCNH2HCRTR1HCRTR2
SCHEMBL31479296 0.82 HCRTR1 (0.36) MEN1KMT2AKCNH2HCRTR1HCRTR2
SCHEMBL31479103 0.81 MEN1 (0.36) MEN1KMT2AKCNH2HCRTR1HCRTR2
SCHEMBL31478993 0.81 ENPP2 (0.37) MEN1KMT2A
SCHEMBL31479662 0.81 HCRTR1 (0.35) MEN1KMT2AKCNH2HCRTR1HCRTR2

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