SCHEMBL2641063

SCHEMBL2641063

CN1CCC12CCCN(c1cccnc1)C2.c1cncc(N2CCCC3(CCN3)C2)c1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 8/20 0.66
CHRNA4 P43681 8/20 0.66
CHRNB4 P30926 5/20 0.65
CHRNA3 P32297 5/20 0.65
CHRNA1 P02708 4/20 0.65
CHRNG P07510 4/20 0.65
CHRNB1 P11230 4/20 0.65
CHRNA7 P36544 4/20 0.65
CHRND Q07001 4/20 0.65
ROCK1 Q13464 7/20 0.38
CDC42BPB Q9Y5S2 7/20 0.38
ROCK2 O75116 5/20 0.38
CDC42BPA Q5VT25 4/20 0.38

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
SCHEMBL6255251 0.94 CHRNB2 (0.67) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
SCHEMBL2641289 0.92 CHRNB2 (0.67) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
SCHEMBL1616825 0.92 CHRNB2 (0.79) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
SCHEMBL1556606 0.89 CHRNB2 (0.54) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
SCHEMBL6229952 0.89 CHRNB2 (0.73) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
SCHEMBL1555876 0.88 CHRNB2 (0.84) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
SCHEMBL1557278 0.87 CHRNB2 (0.55) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
SCHEMBL2639225 0.86 CHRNB2 (0.68) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
SCHEMBL1555907 0.86 CHRNB2 (0.59) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
SCHEMBL2639017 0.85 CHRNB2 (0.73) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4749715-B2 2011-08-17 JP claimed
EP-1519939-A2 N-ARYL DIAZASPIRACYCLIC COMPOUNDS AND METHODS OF PREPARATION AND USE THEREOF Targacept, Inc. (US) 2005-04-06 EP claimed
WO-2004005293-A2 N-ARYL DIAZASPIRACYCLIC COMPOUNDS AND METHODS OF PREPARATION AND USE THEREOF TARGACEPT, INC. (US) 2004-01-15 WO claimed