SCHEMBL8439710

SCHEMBL8439710

c1ccc2ncc(OC[C@H]3CCCN3)cc2c1

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 5/20 0.59
CHRNA4 P43681 5/20 0.59
CHRNA3 P32297 4/20 0.56
CHRNB4 P30926 2/20 0.56
CHRNA1 P02708 1/20 0.56
CHRNG P07510 1/20 0.56
CHRNB1 P11230 1/20 0.56
CHRND Q07001 1/20 0.56
AKT1 P31749 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
Hydrochloric Acid SCHEMBL8437890 0.99 CHRNB2 (0.61) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA1
SCHEMBL6586231 0.87 CHRNB2 (0.62) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA1
SCHEMBL4155746 0.77 LTA4H (0.79) CHRNA3CHRNB4
SCHEMBL5332805 0.77 LTA4H (0.79) CHRNA3CHRNB4
SCHEMBL7901523 0.77 LTA4H (0.79) CHRNA3CHRNB4
SCHEMBL4650621 0.77 LTA4H (0.48) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA1
SCHEMBL2229320 0.76 SLC6A2 (0.69) CHRNB2CHRNA4CHRNA3CHRNB4CHRNB1
SCHEMBL6586316 0.76 EP300 (0.67) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA1
SCHEMBL6585946 0.75 CHRNB2 (0.83) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA1
SCHEMBL6584663 0.75 CHRNB2 (0.83) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA1

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