SCHEMBL31479332

SCHEMBL31479332

CCN(C(=O)c1cc(F)ccc1-c1cc(C2CN(C(=O)OC(C)(C)C)C2)cn2c(C)nc(F)c12)C(C)C

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 1/20 0.38
GPR119 Q8TDV5 3/20 0.35
BACE1 P56817 4/20 0.35
BACE2 Q9Y5Z0 2/20 0.34
POLB P06746 1/20 0.34
ENPP2 Q13822 1/20 0.34
USP30 Q70CQ3 1/20 0.33
HCRTR1 O43613 2/20 0.33
HCRTR2 O43614 2/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
SLC34A1 Q06495 1/20 0.32
BRD3 Q15059 1/20 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
SCHEMBL31479484 0.93 GPBAR1 (0.39) GPBAR1GPR119BACE1BACE2POLB
SCHEMBL31479007 0.93 GPBAR1 (0.37) GPBAR1GPR119BACE1BACE2POLB
SCHEMBL31479738 0.91 GPR119 (0.39) GPR119POLBENPP2USP30
SCHEMBL31479661 0.91 GPR119 (0.39) GPR119POLBENPP2USP30
SCHEMBL31479254 0.89 GPBAR1 (0.38) GPBAR1GPR119BACE1BACE2ENPP2
SCHEMBL31479318 0.89 PREP (0.37) GPBAR1GPR119POLB
SCHEMBL31479892 0.88 GPBAR1 (0.38) GPBAR1GPR119BACE1BACE2POLB
SCHEMBL31479350 0.86 ALDH1A1 (0.41) GPBAR1GPR119BACE1BACE2POLB
SCHEMBL31479549 0.86 HCRTR1 (0.35) HCRTR1HCRTR2
SCHEMBL31479016 0.85 SMN1; SMN2 (0.42) GPBAR1BACE1BACE2POLB

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