SCHEMBL2955046

SCHEMBL2955046

COc1cccc(Oc2cncc(N3C[C@H]4C[C@H]3CN4)c2)c1

nearest known ligand 0.80

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 13/20 0.80
CHRNA4 P43681 13/20 0.80
CHRNB4 P30926 1/20 0.52
CHRNA3 P32297 1/20 0.52
HRH4 Q9H3N8 1/20 0.47

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
SCHEMBL2956250 1.00 CHRNB2 (0.80) CHRNB2CHRNA4CHRNB4CHRNA3HRH4
SCHEMBL5986465 1.00 CHRNB2 (0.80) CHRNB2CHRNA4CHRNB4CHRNA3HRH4
SCHEMBL3046728 1.00 CHRNB2 (0.80) CHRNB2CHRNA4CHRNB4CHRNA3HRH4
SCHEMBL2962585 0.91 CHRNB2 (0.84) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL2958303 0.91 CHRNB2 (0.84) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL2962145 0.91 CHRNB2 (0.84) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL5988489 0.91 CHRNB2 (0.84) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL5367436 0.89 CHRNB2 (1.00) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL7689605 0.89 CHRNB2 (1.00) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL2949362 0.88 CHRNB2 (0.74) CHRNB2CHRNA4CHRNB4CHRNA3

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-RE41439-E1 Pharmaceutical compositions and methods for use TARGACEPT, INC. (US) 2010-07-13 US disclosed