SCHEMBL31479481

SCHEMBL31479481

CCN(C(=O)C(C)C)c1cc(F)ccc1-c1cc(Cl)cn2c(C)ncc12

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 1/20 0.34
GRIN2B Q13224 13/20 0.34
MLYCD O95822 2/20 0.33
SCN9A Q15858 1/20 0.31
OXTR P30559 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
P2RX7 Q99572 1/20 0.31
GRIN1 Q05586 1/20 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
SCHEMBL31479542 0.83 HDAC3 (0.37) MLYCD
SCHEMBL31479832 0.79 HCRTR1 (0.40) GRIN2BSCN9A
SCHEMBL31479621 0.78 ENPP2 (0.37)
SCHEMBL31479111 0.76 MEN1 (0.36)
SCHEMBL31479527 0.75 TSHR (0.41) GRIN2B
SCHEMBL31479031 0.74 GRIN2B (0.35) GPBAR1GRIN2BSCN9A
SCHEMBL31479205 0.69 HCRTR1 (0.40) GRIN2BSCN9A
SCHEMBL31479169 0.68 HCRTR1 (0.39) GPBAR1GRIN2B
SCHEMBL31479125 0.67 HCRTR1 (0.39)
SCHEMBL31479217 0.66 MLYCD (0.42) MLYCD

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