Lobeline

Lobeline

SCHEMBL8994428

CN1[C@@H](CC(=O)c2ccccc2)CCC[C@H]1C[C@H](O)c1ccccc1.CN1[C@@H](CC(=O)c2ccccc2)CCC[C@H]1C[C@H](O)c1ccccc1.S

nearest known ligand 0.97

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 5/20 0.97
CYP1A2 P05177 3/20 0.97
TSHR P16473 1/20 0.97
NFKB1 P19838 1/20 0.97
LMNA P02545 1/20 0.97
CHRNB2 P17787 1/20 0.97
HTR2A P28223 1/20 0.97
HRH1 P35367 1/20 0.97
CHRNA7 P36544 1/20 0.97
CHRNA4 P43681 1/20 0.97
SLC18A2 Q05940 1/20 0.97
HIF1A Q16665 1/20 0.72
KCNH2 Q12809 1/20 0.62

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
Lobeline SCHEMBL290803 0.99 CYP2D6 (1.00) CYP2D6CYP1A2TSHRNFKB1LMNA
Lobeline SCHEMBL8305826 0.99 CYP2D6 (1.00) CYP2D6CYP1A2TSHRNFKB1LMNA
Lobeline SCHEMBL14029403 0.99 CYP2D6 (1.00) CYP2D6CYP1A2TSHRNFKB1LMNA
Lobeline SCHEMBL290804 0.99 CYP2D6 (1.00) CYP2D6CYP1A2TSHRNFKB1LMNA
Lobeline SCHEMBL3308906 0.99 CYP2D6 (1.00) CYP2D6CYP1A2TSHRNFKB1LMNA
Lobeline SCHEMBL2905547 0.99 CYP2D6 (1.00) CYP2D6CYP1A2TSHRNFKB1LMNA
Lobeline SCHEMBL13900378 0.99 CYP2D6 (1.00) CYP2D6CYP1A2TSHRNFKB1LMNA
Lobeline SCHEMBL467021 0.97 CYP2D6 (0.97) CYP2D6CYP1A2TSHRNFKB1LMNA
Lobeline SCHEMBL4264391 0.97 CYP2D6 (0.97) CYP2D6CYP1A2TSHRNFKB1LMNA
Lobeline SCHEMBL467022 0.97 CYP2D6 (0.97) CYP2D6CYP1A2TSHRNFKB1LMNA

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
EP-0725640-A1 USE OF LOBELINE FOR THE TREATMENT OF NICOTINE WITHDRAWAL DYNAGEN, INC. (US) 1996-08-14 EP disclosed
WO-1995011679-A1 USE OF LOBELINE FOR THE TREATMENT OF NICOTINE WITHDRAWAL DYNAGEN, INC. (US) 1995-05-04 WO disclosed