SCHEMBL10419475

SCHEMBL10419475

CCC[N+]1(OC(=O)C(=O)O[N+]2(CCC)CCC=C(c3nc(C)no3)C2)CCC=C(c2nc(C)no2)C1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 12/20 0.42
CHRM4 P08173 12/20 0.42
CHRM5 P08912 12/20 0.42
CHRM1 P11229 12/20 0.42
CHRM3 P20309 12/20 0.42
KMT2A Q03164 1/20 0.31
ACHE P22303 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
SCHEMBL10418824 0.88 CHRM2 (0.40) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL10418871 0.81 CHRM2 (0.47) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9704921 0.77 CHRM2 (0.52) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9704923 0.71 CHRM2 (0.52) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL10418513 0.71 CHRM2 (0.41) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL10419887 0.68 CHRM2 (0.55) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9702952 0.68 CHRM2 (0.55) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9702753 0.67 CHRM2 (0.54) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9703163 0.66 MAOA (0.35) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL10420361 0.64 CHRM2 (0.63) CHRM2CHRM4CHRM5CHRM1CHRM3

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
US-4933353-A ALZHEIMER*S DISEASE A/S FERROSAN (DE) 1990-06-12 US disclosed
EP-0259621-A2 Piperidine compounds and their preparation and use NOVO NORDISK A/S (DK) 1988-03-16 EP disclosed