SCHEMBL24512441

SCHEMBL24512441

CNC(=O)[C@H]1CC[C@H](C(C)=O)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.43
CHRNA4 P43681 2/20 0.43
CHRNA7 P36544 1/20 0.43
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
NAMPT P43490 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 2/20 0.36
HTT P42858 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
KDM4E B2RXH2 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TRPA1 O75762 1/20 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
SCHEMBL14527940 1.00 CHRNB2 (0.43) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL14000498 1.00 CHRNB2 (0.43) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL5909567 0.89 CHRNB2 (0.50) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL103880 0.89
SCHEMBL22783469 0.89 HDAC8 (0.52) CHRNB2CHRNA4CHRNA7SMN1; SMN2ALDH1A1
SCHEMBL22783483 0.89 HDAC8 (0.52) CHRNB2CHRNA4CHRNA7SMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL30714958 0.87
SCHEMBL76462 0.81
SCHEMBL2617044 0.81 MAPT (0.38) NAMPTALDH1A1POLBHTTLMNA
SCHEMBL13165462 0.81 MAPT (0.38) NAMPTALDH1A1POLBHTTLMNA

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-2022125673-A1 CELL-PENETRATING PEPTIDES AND PEPTIDE COMPLEXES AND METHODS OF USE FRED HUTCHINSON CANCER RESEARCH CENTER (US) 2022-06-16 WO disclosed