SCHEMBL5202023

SCHEMBL5202023

O=C(NC1CN2CCC1CC2)Oc1cccs1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 6/20 0.60
CHRM2 P08172 5/20 0.60
CHRM1 P11229 5/20 0.60
CHRNA7 P36544 4/20 0.56
HTR3A P46098 3/20 0.56
HTR3E A5X5Y0 2/20 0.56
HTR3B O95264 2/20 0.56
HTR3D Q70Z44 2/20 0.56
HTR3C Q8WXA8 2/20 0.56
CHRNB4 P30926 2/20 0.49
CHRNA3 P32297 2/20 0.49
CHRNB2 P17787 1/20 0.49
CHRNA4 P43681 1/20 0.49
GAA P10253 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
SCHEMBL13517090 0.80 CHRM3 (0.56) CHRM3CHRM2CHRM1CHRNA7HTR3A
SCHEMBL13517091 0.80 CHRM3 (0.56) CHRM3CHRM2CHRM1CHRNA7HTR3A
SCHEMBL6883391 0.80 CHRNA7 (0.58) CHRM3CHRM2CHRM1CHRNA7HTR3A
SCHEMBL7001352 0.80 CHRNA7 (0.54) CHRM3CHRM2CHRM1CHRNA7HTR3A
SCHEMBL5072898 0.80 CHRNA7 (0.54) CHRM3CHRM2CHRM1CHRNA7HTR3A
SCHEMBL7697552 0.79 HTR3E (0.53) CHRM3CHRM2CHRM1CHRNA7HTR3A
SCHEMBL1090629 0.78 CHRNA7 (0.72) CHRM3CHRM2CHRM1CHRNA7HTR3A
SCHEMBL5072518 0.78 CHRNA7 (0.58) CHRM3CHRM2CHRM1CHRNA7HTR3A
SCHEMBL5072529 0.78 CHRNA7 (0.58) CHRM3CHRM2CHRM1CHRNA7HTR3A
SCHEMBL7003136 0.78 CHRNA7 (0.51) CHRM3CHRM2CHRM1CHRNA7HTR3A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1527073-B1 BENZOTHIOPHENE UREA, BENZOFURANE UREA, AND INDOLE UREA, AND USE OF THE SAME AS ALPHA-7 ACHR AGONISTS BAYER HEALTHCARE AG (DE) 2007-08-22 EP disclosed
EP-1461335-B1 2-HETEROARYLCARBOXYLIC ACID AMIDES BAYER HEALTHCARE AG (DE) 2007-02-28 EP disclosed
EP-1515967-B1 2-HETEROARYL CARBOXAMIDES BAYER HEALTHCARE AG (DE) 2006-11-02 EP disclosed
EP-1461335-A1 2-HETEROARYLCARBOXYLIC ACID AMIDES Bayer HealthCare AG (DE) 2004-09-29 EP disclosed
WO-2003055878-A1 2-HETEROARYLCARBOXYLIC ACID AMIDES BAYER HEALTHCARE AG (DE) 2003-07-10 WO disclosed