SCHEMBL29013170

SCHEMBL29013170

O=Cc1ccc(N2CCN(C(=O)OCc3ccccc3)CC2)c(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.54
ALDH1A3 P47895 2/20 0.51
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
ALDH3A1 P30838 1/20 0.48
CYP2C19 P33261 1/20 0.46
TMEM97 Q5BJF2 2/20 0.45
SIGMAR1 Q99720 2/20 0.45
HTR1A P08908 1/20 0.45
ADRA2A P08913 1/20 0.45
ADRA2B P18089 1/20 0.45
ADRA2C P18825 1/20 0.45
DRD1 P21728 1/20 0.45
HRH2 P25021 1/20 0.45
HTR1B P28222 1/20 0.45
HTR2A P28223 1/20 0.45

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
SCHEMBL34467562 0.93 GRM5 (0.52) GRM5MEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL28690316 0.84 GRM5 (0.56) GRM5MEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL23201166 0.82 CA1 (0.58) GRM5MEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL6805752 0.81 TMEM97 (0.55) GRM5MEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL5333413 0.81 ALDH1A3 (0.52) ALDH1A3MEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL25935564 0.79 GRM5 (0.51) GRM5MEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL30479016 0.79 GRM5 (0.51) GRM5MEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL25256843 0.78 GRM5 (0.58) GRM5MEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL22291054 0.78 CA1 (0.55) GRM5MEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL4941483 0.77 ALDH1A3 (0.57) ALDH1A3MEN1KMT2ANPSR1SMN1; SMN2

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-116261458-B PLK1 degradation inducing compounds 厄普特拉株式会社 2024-05-24 CN disclosed
CN-116261458-A Novel PLK1 degradation inducing compounds 厄普特拉株式会社 2023-06-13 CN disclosed