SCHEMBL2962145

SCHEMBL2962145

COc1ccc(Oc2cncc(N3C[C@H]4C[C@H]3CN4)c2)cc1

nearest known ligand 0.84

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 14/20 0.84
CHRNA4 P43681 14/20 0.84
CHRNB4 P30926 1/20 0.54
CHRNA3 P32297 1/20 0.54

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
SCHEMBL2958303 1.00 CHRNB2 (0.84) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL5988489 1.00 CHRNB2 (0.84) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL2962585 1.00 CHRNB2 (0.84) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL5367436 0.91 CHRNB2 (1.00) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL7689605 0.91 CHRNB2 (1.00) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL5986465 0.91 CHRNB2 (0.80) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL2955046 0.91 CHRNB2 (0.80) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL2956250 0.91 CHRNB2 (0.80) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL3046728 0.91 CHRNB2 (0.80) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL5987077 0.90 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