SCHEMBL8439489

SCHEMBL8439489

CN1CCC[C@H]1COc1cncc(C#N)c1

nearest known ligand 0.80

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 13/20 0.80
CHRNA3 P32297 11/20 0.80
CHRNB4 P30926 5/20 0.73
CHRNB1 P11230 4/20 0.73
CHRNB3 Q05901 4/20 0.73
CHRNA4 P43681 4/20 0.70
CHRNA2 Q15822 1/20 0.70

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 SCHEMBL8440172 0.99 CHRNB2 (0.78) CHRNB2CHRNA3CHRNB4CHRNB1CHRNB3
SCHEMBL2499296 0.89 CHRNB2 (1.00) CHRNB2CHRNA3CHRNB4CHRNB1CHRNB3
SCHEMBL13322054 0.89 CHRNB2 (1.00) CHRNB2CHRNA3CHRNB4CHRNB1CHRNB3
SCHEMBL12190816 0.88 CHRNB2 (0.77) CHRNB2CHRNA3CHRNB4CHRNB1CHRNB3
SCHEMBL8305152 0.88 CHRNB2 (0.77) CHRNB2CHRNA3CHRNB4CHRNB1CHRNB3
SCHEMBL13308403 0.85 CHRNB2 (0.74) CHRNB2CHRNA3CHRNB4CHRNB1CHRNB3
SCHEMBL12190815 0.85 CHRNB2 (0.81) CHRNB2CHRNA3CHRNB4CHRNB1CHRNB3
SCHEMBL6583018 0.85 CHRNA3 (0.81) CHRNB2CHRNA3CHRNB4CHRNB1CHRNB3
SCHEMBL14303745 0.84 CHRNB2 (1.00) CHRNB2CHRNA3CHRNB4CHRNB1CHRNB3
SCHEMBL7676161 0.84 CHRNB2 (0.84) CHRNB2CHRNA3CHRNB4CHRNB1CHRNB3

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