SCHEMBL31479409

SCHEMBL31479409

COCCN(C(=O)c1cc(F)ccc1-c1cc(C2CNC2)cn2c(C)ncc12)C(C)C

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 3/20 0.34
GRIN1 Q05586 2/20 0.32
GRIN2B Q13224 2/20 0.32
USP1 O94782 2/20 0.32
TP53 P04637 1/20 0.32
REN P00797 6/20 0.31
NR1H3 Q13133 1/20 0.31
PER2 O15055 2/20 0.31
CRY1 Q16526 2/20 0.31
CRY2 Q49AN0 2/20 0.31
HCRTR1 O43613 1/20 0.30
HCRTR2 O43614 1/20 0.30
PTGDR2 Q9Y5Y4 1/20 0.30
NAMPT P43490 1/20 0.30
AXL P30530 1/20 0.30
MERTK Q12866 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
SCHEMBL31479417 0.90 HCRTR1 (0.37) HCRTR1HCRTR2
SCHEMBL31479476 0.88 HCRTR1 (0.32) HCRTR1HCRTR2
SCHEMBL31479146 0.87 MEN1 (0.32) HCRTR1HCRTR2
SCHEMBL31479158 0.86 GPBAR1 (0.38) NR1H2NR1H3
SCHEMBL31479123 0.85 SSTR4 (0.31) GRIN1GRIN2BHCRTR1HCRTR2
SCHEMBL31479493 0.85 NR1H2 (0.36) NR1H2NR1H3
SCHEMBL31479525 0.84 NR1H2 (0.34) NR1H2NR1H3
SCHEMBL31478944 0.84 HCRTR1 (0.35) HCRTR1HCRTR2
SCHEMBL31479580 0.82 SLC6A2 (0.35) HCRTR1HCRTR2
SCHEMBL31479465 0.82 SLC6A2 (0.35) HCRTR1HCRTR2

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