SCHEMBL8523247

SCHEMBL8523247

CN(C)C(=O)Oc1cccc(CN2CCNCC2)c1

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACHE P22303 7/20 0.55
CHRM3 P20309 4/20 0.50
LMNA P02545 2/20 0.49
BCHE P06276 2/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
NPSR1 Q6W5P4 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
SCHEMBL8522687 0.82 ACHE (0.52) ACHELMNA
SCHEMBL3847058 0.78 SIGMAR1 (0.72) CHRM3MEN1KMT2A
SCHEMBL29463795 0.78 SIGMAR1 (0.72) CHRM3MEN1KMT2A
SCHEMBL8294656 0.78 CHRM3 (0.56) CHRM3
Hydrochloric Acid SCHEMBL7422123 0.77 SIGMAR1 (0.70) CHRM3MEN1KMT2A
SCHEMBL1382022 0.77 SIGMAR1 (0.70) CHRM3MEN1KMT2A
Hydrochloric Acid SCHEMBL5570576 0.77 CHRM3 (0.55) CHRM3
SCHEMBL8523499 0.75 ACHE (0.70) ACHELMNABCHEMEN1KMT2A
SCHEMBL7649187 0.74 ALDH1A1 (0.69) CHRM3LMNAMEN1KMT2A
SCHEMBL8523501 0.74 ACHE (0.68) ACHELMNABCHEMEN1KMT2A

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
WO-2012065527-A1 COMPOUDS AND USES AS L-TYPE CALCIUM CHANNEL BLOCKER AND/OR ACETYLCHOLINESTERASE INHIBITOR THEREOF 江苏先声药物研究有限公司 (CN) 2012-05-24 WO disclosed