SCHEMBL30015005

SCHEMBL30015005

[2H]C1([2H])CC(OCC2CCNCC2)CC([2H])([2H])N1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.35
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
HTR3A P46098 1/20 0.33
KCNH2 Q12809 1/20 0.33
KDM1A O60341 4/20 0.32
SLC6A3 Q01959 1/20 0.31
CTSL P07711 1/20 0.31
CTSB P07858 1/20 0.31
CTSK P43235 1/20 0.31
EP300 Q09472 3/20 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
SCHEMBL470809 0.85 TDP1 (0.40) TDP1SLC6A2SLC6A4HTR3AKCNH2
SCHEMBL797411 0.81 TDP1 (0.38) TDP1SLC6A2SLC6A4HTR3AKCNH2
SCHEMBL796522 0.81 SLC6A2 (0.37) TDP1SLC6A2SLC6A4HTR3AKCNH2
Hydrochloric Acid SCHEMBL17220300 0.79 TDP1 (0.41) TDP1SLC6A2SLC6A4HTR3AKCNH2
Hydrochloric Acid SCHEMBL17220374 0.79 TDP1 (0.39) TDP1SLC6A2SLC6A4HTR3AKCNH2
Hydrochloric Acid SCHEMBL7491956 0.78 CTSL (0.43) TDP1SLC6A2SLC6A4HTR3AKCNH2
SCHEMBL4104818 0.77 CTSL (0.41) TDP1SLC6A2SLC6A4HTR3AKCNH2
SCHEMBL19025161 0.77 CTSL (0.46) TDP1SLC6A2SLC6A4HTR3AKCNH2
SCHEMBL13747906 0.77 TDP1 (0.38) TDP1SLC6A2SLC6A4HTR3AKCNH2
SCHEMBL8193734 0.76 TDP1 (0.35) TDP1SLC6A2SLC6A4HTR3AKCNH2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022223034-A1 SOS1 DEGRADATION AGENT AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 上海领泰生物医药科技有限公司 2022-10-27 WO disclosed
WO-2022223033-A1 SOS1 DEGRADING AGENT AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 上海领泰生物医药科技有限公司 2022-10-27 WO disclosed
WO-2022223039-A1 SOS1 DEGRADER, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 上海领泰生物医药科技有限公司 2022-10-27 WO disclosed