SCHEMBL29138587

SCHEMBL29138587

C[C@H]1CC(c2ncc(C(F)F)cn2)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 6/20 0.42
MAP4K4 O95819 1/20 0.35
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
MAPT P10636 2/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PIK3CD O00329 1/20 0.35
KDM4E B2RXH2 1/20 0.34
THRB P10828 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ROCK2 O75116 3/20 0.34
PRKG1 Q13976 3/20 0.34

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
SCHEMBL30639338 0.85 GPR119 (0.44) GPR119MAP4K4MAPTALDH1A1MEN1
SCHEMBL29138621 0.85 GPR119 (0.44) GPR119MAP4K4MAPTALDH1A1MEN1
SCHEMBL29138594 0.83 HCRTR2 (0.36) MAPTALDH1A1PIK3CDROCK2PRKG1
SCHEMBL23868538 0.73 ROCK2 (0.50) GPR119ROCK2PRKG1
SCHEMBL25124203 0.73 GPR119 (0.41) GPR119MAP4K4MAPTNPC1HTT
SCHEMBL24700140 0.72 NAMPT (0.46) GPR119KDM4E
SCHEMBL30426583 0.72 TRPC6 (0.46) GPR119MAP4K4
SCHEMBL31061319 0.72 TRPC6 (0.46) GPR119MAP4K4
SCHEMBL31105127 0.72 TRPC6 (0.46) GPR119MAP4K4
SCHEMBL30639358 0.72 HDAC1 (0.35) GPR119MAP4K4MEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023241684-A1 PDE4B INHIBITOR 武汉人福创新药物研发中心有限公司 2023-12-21 WO disclosed
CN-117247395-A PDE4B inhibitors 武汉人福创新药物研发中心有限公司 2023-12-19 CN disclosed