SCHEMBL5996594

SCHEMBL5996594

O=C(c1ccccc1)c1cncc(N2CC3CC(C2)N3)c1

nearest known ligand 0.70

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 19/20 0.70
CHRNA3 P32297 19/20 0.70
CHRNB2 P17787 3/20 0.58
CHRNA4 P43681 3/20 0.58

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
SCHEMBL4011571 0.87 CHRNB2 (0.55) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL2955968 0.84 CHRNB4 (0.53) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL2961067 0.83 CHRNB4 (0.51) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL5987239 0.79 CHRNB2 (0.74) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL2954949 0.79 CHRNB2 (0.74) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL2961069 0.79 CHRNB2 (0.74) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL2963531 0.78 CHRNB4 (0.48) CHRNB4CHRNA3CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL2958574 0.78 CHRNB2 (0.72) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL5995974 0.76 CHRNB4 (1.00) CHRNB4CHRNA3
SCHEMBL5994016 0.74 CHRNB4 (0.66) 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 1 patent. 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 disclosed