SCHEMBL30475475

SCHEMBL30475475

COc1ccc(N2CCN(CCC(=O)N3CCC(N)CC3)CC2)cc1N1CCC(=O)NC1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 9/20 0.44
NR3C1 P04150 1/20 0.40
PGR P06401 1/20 0.40
SLC6A4 P31645 1/20 0.40
KCNH2 Q12809 1/20 0.40
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
HTR1A P08908 9/20 0.40
TNKS O95271 1/20 0.39
PARP1 P09874 1/20 0.39
PARP10 Q53GL7 1/20 0.39
TNKS2 Q9H2K2 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
DRD2 P14416 1/20 0.39
ADAMTS5 Q9UNA0 1/20 0.39
ALOX15 P16050 2/20 0.38
ALDH1A1 P00352 2/20 0.38
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
PDE4B Q07343 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
SCHEMBL25034750 1.00 HTR7 (0.44) HTR7NR3C1PGRSLC6A4KCNH2
SCHEMBL25033930 0.93 HTR7 (0.42) HTR7NR3C1PGRSLC6A4KCNH2
SCHEMBL25035204 0.85 HTR7 (0.50) HTR7HTR1AADAMTS5ALDH1A1DDB1
SCHEMBL25824644 0.85 DDB1 (0.42) HTR7DRD2ALOX15DDB1CRBN
SCHEMBL25824646 0.82 ADAMTS5 (0.40) HTR7NR3C1PGRSLC6A4KCNH2
SCHEMBL25300532 0.82 HTR7 (0.42) HTR7HTR1ATNKSPARP1PARP10
SCHEMBL25294346 0.81 HTR7 (0.42) HTR7HTR1AL3MBTL1DRD2ADAMTS5
SCHEMBL30475454 0.80 ALDH1A1 (0.42) PDE3BPDE3ATNKSPARP1PARP10
SCHEMBL25035194 0.80 ALDH1A1 (0.42) PDE3BPDE3ATNKSPARP1PARP10
SCHEMBL25033926 0.79 DDB1 (0.42) HTR7HTR1ATNKSPARP1PARP10

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
CN-116322700-B Novel PLK1 degradation inducing compounds 厄普特拉株式会社 2024-08-20 CN disclosed
CN-116322700-A Novel PLK1 degradation inducing compounds 厄普特拉株式会社 2023-06-23 CN disclosed