SCHEMBL23930873

SCHEMBL23930873

N[C@H]1CN(C(=O)O)C[C@H]1CF

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A12 P48065 3/20 0.34
SLC6A11 P48066 3/20 0.34
SLC6A13 Q9NSD5 3/20 0.34
RORC P51449 1/20 0.30

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
SCHEMBL12492404 1.00 SLC6A12 (0.34) SLC6A12SLC6A11SLC6A13RORC
SCHEMBL1924792 0.82 SLC6A12 (0.35) SLC6A12SLC6A11SLC6A13
SCHEMBL26614925 0.82 SLC6A12 (0.35) SLC6A12SLC6A11SLC6A13
SCHEMBL26615047 0.82 SLC6A12 (0.35) SLC6A12SLC6A11SLC6A13
SCHEMBL1924790 0.82 SLC6A12 (0.35) SLC6A12SLC6A11SLC6A13
SCHEMBL2873603 0.82 SLC6A12 (0.35) SLC6A12SLC6A11SLC6A13
SCHEMBL1586267 0.82 SLC6A12 (0.35) SLC6A12SLC6A11SLC6A13
SCHEMBL5773307 0.82 SLC6A12 (0.35) SLC6A12SLC6A11SLC6A13
SCHEMBL2873601 0.82 SLC6A12 (0.35) SLC6A12SLC6A11SLC6A13
Hydrochloric Acid SCHEMBL21682454 0.80 SLC6A12 (0.38) SLC6A12SLC6A11SLC6A13

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-2021215545-A1 ANTICANCER COMBINATION THERAPY WITH N-(1-ACRYLOYL-AZETIDIN-3-YL)-2-((1H-INDAZOL-3-YL)AMINO)METHYL)-1H-IMIDAZOLE-5-CARBOXAMIDE INHIBITOR OF KRAS-G12C TAIHO PHARMACEUTICAL CO., LTD. (JP) 2021-10-28 WO disclosed