SCHEMBL5996598

SCHEMBL5996598

Fc1ccc(Oc2cncc(N3CC4CC(C3)N4)c2)cc1

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 12/20 0.67
CHRNA3 P32297 12/20 0.67
CHRNB2 P17787 2/20 0.56
CHRNA4 P43681 2/20 0.56

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
SCHEMBL5995554 0.86 CHRNB4 (0.70) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL5994016 0.86 CHRNB4 (0.66) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL2961436 0.83 CHRNB4 (0.55) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL2960572 0.82 CHRNB4 (0.46) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL5996622 0.80 CHRNB4 (0.58) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL5996578 0.78 CHRNB4 (0.61) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL2958908 0.78 CHRNB4 (0.42) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL2958059 0.76 CHRNB2 (0.68) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL5987519 0.76 CHRNB2 (0.68) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL2963672 0.76 CHRNB2 (0.68) CHRNB4CHRNA3CHRNB2CHRNA4

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-7067261-B2 Methods and compositions for treatment of central nervous system disorders TARGACEPT, INC. (US) 2006-06-27 US claimed
US-7067261-B2 Methods and compositions for treatment of central nervous system disorders TARGACEPT, INC. (US) 2006-06-27 US disclosed