SCHEMBL29950879

SCHEMBL29950879

[C-]#[N+]C(C(N)=O)N1CCC(Cc2ccccc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.51
HRH3 Q9Y5N1 1/20 0.51
GAA P10253 1/20 0.51
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
FAAH O00519 1/20 0.48

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
SCHEMBL29952026 0.79 KCNH2 (0.48) KCNH2HRH3
SCHEMBL12466880 0.75 MEN1 (0.64) KCNH2HRH3GAAMEN1KMT2A
SCHEMBL7303215 0.74 KCNH2 (0.51) KCNH2HRH3MEN1KMT2A
SCHEMBL6986592 0.74 MEN1 (0.64) GAAMEN1KMT2A
Hydrochloric Acid SCHEMBL4577195 0.73 KCNH2 (0.65) KCNH2HRH3GAA
SCHEMBL8817072 0.73 KCNH2 (0.61) KCNH2HRH3
SCHEMBL4281407 0.73 GAA (0.64) GAAMEN1KMT2A
SCHEMBL8904897 0.73 ALDH1A1 (0.64) GAAMEN1KMT2AFAAH
SCHEMBL29954675 0.73 USP2 (0.45) MEN1KMT2A
SCHEMBL27604084 0.72 KCNH2 (0.53) KCNH2HRH3MEN1KMT2AFAAH

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed