SCHEMBL8440528

SCHEMBL8440528

COc1cncc(OC[C@@H]2CCCN2C)c1

nearest known ligand 0.76

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 9/20 0.76
CHRNA3 P32297 7/20 0.76
CHRNB4 P30926 6/20 0.76
CHRNA4 P43681 5/20 0.76
CHRNB1 P11230 4/20 0.76
CHRNB3 Q05901 4/20 0.76

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
Hydrochloric Acid SCHEMBL7450140 0.99 CHRNB2 (0.74) CHRNB2CHRNA3CHRNB4CHRNA4CHRNB1
SCHEMBL7408002 0.92 CHRNB2 (0.64) CHRNB2CHRNA3CHRNB4CHRNA4CHRNB1
SCHEMBL6585255 0.89 CHRNB2 (0.72) CHRNB2CHRNA3CHRNB4CHRNA4CHRNB1
Hydrochloric Acid SCHEMBL6584143 0.88 CHRNB2 (0.70) CHRNB2CHRNA3CHRNB4CHRNA4CHRNB1
SCHEMBL6585252 0.87 CHRNB2 (0.69) CHRNB2CHRNA3CHRNB4CHRNA4CHRNB1
SCHEMBL6584041 0.86 CHRNB4 (1.00) CHRNB2CHRNA3CHRNB4CHRNA4CHRNB1
SCHEMBL905212 0.86 CHRNB2 (1.00) CHRNB2CHRNA3CHRNB4CHRNA4CHRNB1
Hydrochloric Acid SCHEMBL6584146 0.86 CHRNB2 (0.67) CHRNB2CHRNA3CHRNB4CHRNA4CHRNB1
Hydrochloric Acid SCHEMBL6589142 0.85 CHRNB2 (0.98) CHRNB2CHRNA3CHRNB4CHRNA4CHRNB1
SCHEMBL6587460 0.85 CHRNB2 (1.00) CHRNB2CHRNA3CHRNB4CHRNA4CHRNB1

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-5914328-A CONTROL DOPAMINE RELEASE, ACTIVATE CHOLINERGIC CHANNELS ABBOTT LABORATORIES (US) 1999-06-22 US disclosed