SCHEMBL26501544

SCHEMBL26501544

C=C1CC(C)(C)C(=O)N(CCCCCCN2C(=O)C(=C)CC(C)(C)C2=O)C1=O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.33
DRD2 P14416 1/20 0.33
HTR2C P28335 1/20 0.33
HTR7 P34969 1/20 0.33
HRH1 P35367 1/20 0.33
HTR2B P41595 1/20 0.33
MGLL Q99685 3/20 0.32
FAAH O00519 2/20 0.32
HSP90AA1 P07900 1/20 0.32
TLR9 Q9NR96 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32
HPGD P15428 1/20 0.32
XBP1 P17861 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
RECQL P46063 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
SCHEMBL26501549 1.00 HTR1A (0.33) HTR1ADRD2HTR2CHTR7HRH1
SCHEMBL26501552 1.00 HTR1A (0.33) HTR1ADRD2HTR2CHTR7HRH1
SCHEMBL26180438 0.92 ALDH1A1 (0.38) ALDH1A1LMNAMAPK1HTTRECQL
SCHEMBL26501532 0.88 ALDH1A1 (0.40) ALDH1A1LMNAHTTRECQLRAB9A
SCHEMBL26501524 0.88 PTGS1 (0.45) ALDH1A1LMNAMAPTPKMHPGD
SCHEMBL26501528 0.88 PTGS1 (0.45) ALDH1A1LMNAMAPTPKMHPGD
SCHEMBL19062108 0.81 HTR1A (0.34) HTR1ADRD2HTR2CHTR7HRH1
SCHEMBL24410512 0.77 TSHR (0.43) HTR1ADRD2HTR7ALDH1A1LMNA
SCHEMBL26501812 0.72 MEN1 (0.39) HTR1ADRD2HTR7ALDH1A1LMNA
SCHEMBL26180406 0.72 MEN1 (0.39) HTR1ADRD2HTR7ALDH1A1LMNA

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
US-20230323151-A1 IMIDE ADDITION-FRAGMENTATION AGENTS 3M INNOVATIVE PROPERTIES COMPANY 2023-10-12 US disclosed
US-20230323151-A1 IMIDE ADDITION-FRAGMENTATION AGENTS 3M INNOVATIVE PROPERTIES COMPANY 2023-10-12 US disclosed