SCHEMBL28933975

SCHEMBL28933975

[N-]=[N+]=NC1CCCC(N=[N+]=[N-])C1O

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRM8 O00222 2/20 0.33
GRM6 O15303 2/20 0.33
GRM2 Q14416 2/20 0.33
GRM3 Q14832 2/20 0.33

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
SCHEMBL28933909 0.90 GRM8 (0.34) GRM8GRM6GRM2GRM3
SCHEMBL15883833 0.89
SCHEMBL18382641 0.85 CA1 (0.33)
SCHEMBL14671356 0.84
SCHEMBL16095653 0.84
SCHEMBL17846573 0.83
SCHEMBL13949761 0.83
SCHEMBL19840518 0.83
SCHEMBL13512633 0.83
SCHEMBL30785142 0.83

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
CN-110156628-B Cyclotriol derivative and preparation method and application thereof 暨南大学 2022-05-17 CN disclosed