SCHEMBL25830939

SCHEMBL25830939

C#CCOCCOCCOCCN1CCC(N(CCOCCN(C)C(=O)OC(C)(C)C)CCOCCN(C)C(=O)OC(C)(C)C)CC1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.33
CCR5 P51681 1/20 0.32
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 1/20 0.32
HSD11B1 P28845 1/20 0.31
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
HTR1A P08908 1/20 0.31
DRD2 P14416 1/20 0.31
HTR2A P28223 1/20 0.31
HTR7 P34969 1/20 0.31
HRH3 Q9Y5N1 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
SCHEMBL25830559 0.82 MEN1 (0.31) MEN1GAAMAPTKMT2A
SCHEMBL21070882 0.81 TSHR (0.37)
SCHEMBL29837023 0.81 TSHR (0.37)
SCHEMBL24965296 0.81 TSHR (0.37)
SCHEMBL24966725 0.81 TSHR (0.37)
SCHEMBL21070955 0.79 TSHR (0.39)
SCHEMBL23085284 0.78 TSHR (0.34)
SCHEMBL22773993 0.77 TSHR (0.41) DDB1CRBN
SCHEMBL25830941 0.76 CARM1 (0.33) HTR2A
SCHEMBL25831188 0.75 TSHR (0.32)

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-2023125806-A1 CONJUGATE FOR PREVENTING AND TREATING VIRAL INFECTIONS AND USE THEREOF 苏州爱科百发生物医药技术有限公司 2023-07-06 WO disclosed