SCHEMBL28358802

SCHEMBL28358802

CC(CCN(C)C)OC(F)(F)F

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
HTR2A P28223 1/20 0.30
HRH1 P35367 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
SCHEMBL21676975 0.79 HTR2A (0.31) HTR2AHRH1
SCHEMBL19630929 0.73 TSHR (0.31)
SCHEMBL3677946 0.72 MAPK1 (0.36) HTR2AHRH1
SCHEMBL23393773 0.71 LMNA (0.42)
SCHEMBL21351791 0.71
SCHEMBL12128465 0.70
SCHEMBL12210679 0.70
SCHEMBL14727510 0.69
SCHEMBL12125666 0.69 HTR2A (0.33) HTR2AHRH1
SCHEMBL21729979 0.69 HTR2A (0.33) SLC6A4HRH3HTR2AHRH1

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-110831584-B Targeted drug rescue with novel compositions, combinations and methods thereof 埃克塞瓦有限责任公司 2023-03-10 CN disclosed
CN-110831584-A Targeted drug rescue with novel compositions, combinations and methods thereof 埃克塞瓦有限责任公司 2020-02-21 CN disclosed