SCHEMBL25610259

SCHEMBL25610259

C/C(=C(/C#N)C(=O)NCCCO)c1ccc(-c2ccc3cc(N4CCCCC4)ccc3c2)n1C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.34
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
KCNH2 Q12809 1/20 0.33
SCN9A Q15858 1/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA9 Q16790 2/20 0.32
CTSL P07711 4/20 0.32
CTSB P07858 4/20 0.32
CTSS P25774 4/20 0.32
CTSK P43235 4/20 0.32
TSHR P16473 1/20 0.31
ABL1 P00519 1/20 0.31
MALT1 Q9UDY8 1/20 0.31
MKNK1 Q9BUB5 1/20 0.31
MKNK2 Q9HBH9 1/20 0.31
SLC6A4 P31645 2/20 0.30
SLC6A2 P23975 1/20 0.30
HTR2A P28223 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
SCHEMBL18220197 0.89 APP (0.42) APPDRD2DRD3KCNH2TSHR
SCHEMBL17120836 0.87 APP (0.34) APPDRD2DRD3KCNH2CTSL
SCHEMBL18220224 0.85 APP (0.34) APPDRD2DRD3KCNH2CTSL
SCHEMBL17120807 0.83 APP (0.37) APPDRD2DRD3KCNH2ABL1
SCHEMBL17120810 0.83 APP (0.37) APPDRD2DRD3KCNH2ABL1
SCHEMBL25610261 0.83 APP (0.34) APPDRD2DRD3KCNH2CA1
SCHEMBL18220206 0.83 APP (0.44) APPDRD2DRD3KCNH2CTSL
SCHEMBL23134879 0.82 APP (0.34) APPDRD2DRD3CTSLCTSB
SCHEMBL23134917 0.82 APP (0.36) APPSLC16A3SLC16A1CSF1RMAPT
SCHEMBL17120651 0.81 APP (0.32) APP

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
EP-3119761-B1 AMYLOID TARGETING AGENTS AND METHODS OF USING THE SAME AMYDIS DIAGNOSTICS INC (US) 2023-06-07 EP disclosed