SCHEMBL5265205

SCHEMBL5265205

COc1ccc2c(C(=O)O[C@@H]3CN4CCC3CC4)snc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.45
NTMT1 Q9BV86 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TSHR P16473 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
CHRNA7 P36544 5/20 0.43
CHRM2 P08172 4/20 0.43
HTR3A P46098 3/20 0.43
CHRM1 P11229 2/20 0.43
CHRM4 P08173 1/20 0.43
CHRM5 P08912 1/20 0.43
CHRM3 P20309 1/20 0.43
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43
CHRNB2 P17787 1/20 0.43
CHRNA4 P43681 1/20 0.43
HTR3D Q70Z44 1/20 0.43
HTR3C Q8WXA8 1/20 0.43
CYP2D6 P10635 1/20 0.41

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
SCHEMBL5267035 0.90 HTR3A (0.42) GLAMEN1KMT2ATSHRRXFP1
SCHEMBL5386775 0.90 HTR3A (0.42) GLAMEN1KMT2ATSHRRXFP1
SCHEMBL2856069 0.82 CHRNA7 (0.44) GLANTMT1MEN1KMT2ATSHR
SCHEMBL2856071 0.82 CHRNA7 (0.44) GLANTMT1MEN1KMT2ATSHR
Hydrochloric Acid SCHEMBL4604601 0.79 CHRNA7 (0.48) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL2854175 0.76 GSK3B (0.52) CHRNA7HTR3AHTR3EHTR3BCHRNB2
SCHEMBL2851300 0.76 CHRNA7 (0.47) GLANTMT1MEN1KMT2ATSHR
SCHEMBL2854049 0.76 GSK3B (0.52) CHRNA7HTR3AHTR3EHTR3BCHRNB2
SCHEMBL2855680 0.76 CHRNA7 (0.47) GLANTMT1MEN1KMT2ATSHR
SCHEMBL13528904 0.76 GSK3B (0.52) CHRNA7HTR3AHTR3EHTR3BCHRNB2

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
EP-1828179-A2 NICOTINIC ALPHA-7 RECEPTOR LIGANDS AND PREPARATION AND USES THEREOF Memory Pharmaceutical Corporation (US) 2007-09-05 EP disclosed
WO-2006069097-A2 NICOTINIC ALPHA-7 RECEPTOR LIGANDS AND PREPARATION AND USES THEREOF MEMORY PHARMACEUTICALS CORPORATION (US) 2006-06-29 WO disclosed