SCHEMBL8440865

SCHEMBL8440865

CC(=O)Nc1cncc(OC[C@@H]2CCCN2C)c1

nearest known ligand 0.70

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 8/20 0.65
CHRNA4 P43681 5/20 0.65
CHRNA3 P32297 5/20 0.65
CHRNB4 P30926 4/20 0.65
CHRNB1 P11230 3/20 0.63
CHRNB3 Q05901 3/20 0.63

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 SCHEMBL7651045 0.99 CHRNB2 (0.64) CHRNB2CHRNA4CHRNA3CHRNB4CHRNB1
SCHEMBL8439072 0.84 CHRNB2 (0.70) CHRNB2CHRNA4CHRNA3CHRNB4CHRNB1
SCHEMBL8436125 0.84 CHRNB2 (0.70) CHRNB2CHRNA4CHRNA3CHRNB4CHRNB1
Hydrochloric Acid SCHEMBL8437644 0.83 CHRNB2 (0.69) CHRNB2CHRNA4CHRNA3CHRNB4CHRNB1
SCHEMBL7675035 0.82 CHRNB2 (0.70) CHRNB2CHRNA4CHRNA3CHRNB4CHRNB1
SCHEMBL7408052 0.82 CHRNB2 (0.69) CHRNB2CHRNA4CHRNA3CHRNB4CHRNB1
Hydrochloric Acid SCHEMBL7414309 0.81 CHRNB2 (0.67) CHRNB2CHRNA4CHRNA3CHRNB4CHRNB1
Hydrochloric Acid SCHEMBL6586183 0.81 CHRNB2 (0.68) CHRNB2CHRNA4CHRNA3CHRNB4CHRNB1
SCHEMBL6581879 0.81 CHRNB2 (0.67) CHRNB2CHRNA4CHRNA3CHRNB4CHRNB1
SCHEMBL7415818 0.80 CHRNB2 (0.70) CHRNB2CHRNA4CHRNA3CHRNB4CHRNB1

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