SCHEMBL3825645

SCHEMBL3825645

c1cncc(OC2C3CC4CC2CN(C4)C3)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 7/20 0.41
CHRNA4 P43681 7/20 0.41
GRIN1 Q05586 4/20 0.40
GRIN2B Q13224 4/20 0.40
CHRNA3 P32297 4/20 0.38
CHRNB4 P30926 3/20 0.38
CHRNA7 P36544 2/20 0.38
CHRNA1 P02708 1/20 0.38
CHRNG P07510 1/20 0.38
CHRNB1 P11230 1/20 0.38
CHRND Q07001 1/20 0.38
CYP2D6 P10635 2/20 0.37
CYP3A4 P08684 2/20 0.37
LMNA P02545 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL17004245 0.78 CHRNB4 (0.43) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL17004288 0.77 FLT3 (0.34) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL17004213 0.77 CHRNB2 (0.41) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL17004199 0.76 SIRT2 (0.33) CHRNB2CHRNA4
SCHEMBL17004227 0.76 CHRNB4 (0.39) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL17004336 0.75 GRIN1 (0.41) CHRNB2CHRNA4GRIN1GRIN2BCHRNA3
SCHEMBL17004290 0.75 CHRNB2 (0.40) CHRNB2CHRNA4CHRNA3CHRNB4
SCHEMBL17004272 0.75 CHRNB2 (0.40) CHRNB2CHRNA4CYP2D6
SCHEMBL17004218 0.75 CHRNB2 (0.42) CHRNB2CHRNA4GRIN1GRIN2BCHRNA3
SCHEMBL17004264 0.75 CHRNB2 (0.39) CHRNB2CHRNA4CHRNA7

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2099795-B1 AZAADAMANTANE DERIVATIVES AND THEIR USES AS NICOTINIC ACETYLCHOLINE RECEPTORS LIGANDS ABBVIE BAHAMAS LTD (BS) 2015-08-19 EP disclosed
EP-2099795-A2 AZAADAMANTANE DERIVATIVES AND THEIR USES AS NICOTINIC ACETYLCHOLINE RECEPTORS LIGANDS Abbott Laboratories (US) 2009-09-16 EP disclosed
WO-2008058096-A9 AZAADAMANTANE DERIVATIVES AND THEIR USES AS NICOTINIC ACETYLCHOLINE RECEPTORS LIGANDS ABBOTT LAB (US) 2008-06-26 WO disclosed
WO-2008058096-A2 AZAADAMANTANE DERIVATIVES AND THEIR USES AS NICOTINIC ACETYLCHOLINE RECEPTORS LIGANDS ABBOTT LABORATORIES (US) 2008-05-15 WO disclosed