SCHEMBL29444440

SCHEMBL29444440

CC(C)(C)OC(=O)N1CCC(c2ccc3[nH]cc(CCO[Si](C)(C)C(C)(C)C)c3c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
LMNA P02545 1/20 0.47
THRB P10828 2/20 0.45
TLR9 Q9NR96 1/20 0.42
TLR8 Q9NR97 1/20 0.42
TLR7 Q9NYK1 1/20 0.42
HTR1D P28221 3/20 0.41
PDE4B Q07343 1/20 0.41
KDM4E B2RXH2 1/20 0.40
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 1/20 0.40
JAK2 O60674 2/20 0.40
GPR119 Q8TDV5 3/20 0.40
NAMPT P43490 1/20 0.40
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39
JAK3 P52333 1/20 0.39
HTR1A P08908 1/20 0.38
HTR1B P28222 1/20 0.38

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
SCHEMBL28709798 1.00 MAPT (0.47) MAPTLMNATHRBTLR9TLR8
SCHEMBL19839184 0.86 MAPT (0.51) MAPTLMNATHRBTLR9TLR8
SCHEMBL6973169 0.85 HTR1D (0.53) MAPTLMNATHRBHTR1DHTR1A
SCHEMBL29555976 0.85 MAPT (0.48) MAPTLMNATHRBTLR9TLR8
SCHEMBL19761222 0.85 MAPT (0.48) MAPTLMNATHRBTLR9TLR8
SCHEMBL19838382 0.83 GPR119 (0.47) MAPTLMNATHRBTLR9TLR8
SCHEMBL28712194 0.83 TLR8 (0.45) MAPTLMNATHRBTLR9TLR8
SCHEMBL29444463 0.83 TLR8 (0.45) MAPTTHRBTLR9TLR8TLR7
SCHEMBL29444464 0.83 TLR8 (0.45) MAPTLMNATHRBTLR9TLR8
SCHEMBL28712268 0.83 TLR8 (0.45) MAPTTHRBTLR9TLR8TLR7

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
CN-114057759-A Condensed tetracyclic derivative, preparation method and application thereof in medicine 江苏恒瑞医药股份有限公司 2022-02-18 CN disclosed