SCHEMBL5175183

SCHEMBL5175183

CCOc1cncc(C2C3CC[N@](C3)C23CCNC3)c1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 8/20 0.42
CHRNA4 P43681 8/20 0.42
CHRNA3 P32297 4/20 0.42
CHRNB4 P30926 3/20 0.42
CHRNB3 Q05901 1/20 0.31
CHRNA6 Q15825 1/20 0.31

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
SCHEMBL5171662 0.84 SLC6A2 (0.36) CHRNB2CHRNA4CHRNA3CHRNB4CHRNB3
SCHEMBL5174487 0.83 CHRNB2 (0.39) CHRNB2CHRNA4CHRNA3CHRNB4
SCHEMBL5172835 0.80 CHRNA3 (0.40) CHRNB2CHRNA4CHRNA3CHRNB4
SCHEMBL5175204 0.79 CHRNB2 (0.33) CHRNB2CHRNA4CHRNA3CHRNB4
SCHEMBL5174317 0.77 CHRNB2 (0.38) CHRNB2CHRNA4
SCHEMBL5173980 0.77 SLC6A2 (0.37) CHRNB2CHRNA4CHRNA3CHRNB4CHRNB3
SCHEMBL5175386 0.75 CHRNB2 (0.40) CHRNB2CHRNA4CHRNA3CHRNB4CHRNB3
Hydrochloric Acid SCHEMBL5174223 0.74 CHRNB2 (0.40) CHRNB2CHRNA4CHRNA3CHRNB4CHRNB3
SCHEMBL5173984 0.73 CHRNA3 (0.42) CHRNB2CHRNA4CHRNA3CHRNB4
SCHEMBL5173061 0.72 CHRNB2 (0.39) CHRNB2CHRNA4CHRNA3CHRNB4

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-1784184-A2 THE USE OF N-ARYL DIAZASPIRACYCLIC COMPOUNDS IN THE TREATMENT OF ADDICTION Targacept, Inc. (US) 2007-05-16 EP claimed
WO-2006023630-A2 THE USE OF N-ARYL DIAZASPIRACYCLIC COMPOUNDS IN THE TREATMENT OF ADDICTION TARGACEPT, INC. (US) 2006-03-02 WO claimed