SCHEMBL6993976

SCHEMBL6993976

N=C(N)N1CC2CNCC(C2)C1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 13/20 0.53
CHRNA4 P43681 13/20 0.53
CHRNB4 P30926 12/20 0.53
CHRNA3 P32297 12/20 0.53
CHRNA7 P36544 12/20 0.53

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
SCHEMBL7475580 0.80 CHRNB2 (0.67) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL2522447 0.71 CHRNB2 (0.67) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL1463828 0.71 CHRNB2 (0.64) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL31413922 0.70 CHRNB2 (0.48) CHRNB2CHRNA4CHRNA3
SCHEMBL742224 0.70 CHRNB2 (1.00) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL1888287 0.70 CHRNB2 (1.00) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL1463829 0.67 CHRNB2 (0.70) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL1463858 0.67 CHRNB2 (1.00) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL1463840 0.65 CHRNB2 (0.63) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL1462642 0.65 CHRNA4 (0.58) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7

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-1301510-A1 NEW BISPIDINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF CARDIAC ARRHYTHMIAS AstraZeneca AB (SE) 2003-04-16 EP disclosed
WO-2002004446-A1 NEW BISPIDINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2002-01-17 WO disclosed