SCHEMBL6316664

SCHEMBL6316664

CC12CNCC(C)(CN(C(=O)O)C1)C2O

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.52
ALDH1A1 P00352 1/20 0.33
CHRNB2 P17787 4/20 0.32
CHRNA4 P43681 4/20 0.32
CHRNB4 P30926 3/20 0.32
CHRNA3 P32297 3/20 0.32
CHRNA7 P36544 2/20 0.32

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
SCHEMBL25389541 0.77 SMN1; SMN2 (0.31) SMN1; SMN2ALDH1A1
SCHEMBL4876108 0.75 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1
SCHEMBL18668699 0.74 SMN1; SMN2 (0.36) SMN1; SMN2CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL29963571 0.74 SMN1; SMN2 (0.36) SMN1; SMN2CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL2265283 0.73 SMN1; SMN2 (0.37) SMN1; SMN2ALDH1A1
SCHEMBL2239249 0.70 NAMPT (0.36)
Hydrochloric Acid SCHEMBL14677475 0.69 NAMPT (0.35)
Oxalic Acid SCHEMBL1394432 0.67 NAMPT (0.34)
SCHEMBL29529909 0.67
SCHEMBL38665499 0.66

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-6887881-B1 Bispidine compounds useful in the treatment of cardiac arrythmias ASTRAZENECA AB (SE) 2005-05-03 US disclosed
EP-1192154-B1 BISPIDINE COMPOUNDS USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2004-03-17 EP disclosed