SCHEMBL1769227

SCHEMBL1769227

CN1C(CCOc2ccc(N)nc2)CC2CC21

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 13/20 0.56
CHRNA4 P43681 13/20 0.56
CHRNA3 P32297 3/20 0.36
CHRNB1 P11230 2/20 0.36
CHRNB4 P30926 2/20 0.36
CHRNB3 Q05901 2/20 0.36
PRKAB2 O43741 1/20 0.32
PRKAG1 P54619 1/20 0.32
PRKAA2 P54646 1/20 0.32
PRKAA1 Q13131 1/20 0.32
PRKAG3 Q9UGI9 1/20 0.32
PRKAG2 Q9UGJ0 1/20 0.32
PRKAB1 Q9Y478 1/20 0.32
DRD2 P14416 1/20 0.32
DRD3 P35462 1/20 0.32

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
SCHEMBL1769472 0.82 CHRNB2 (0.54) CHRNB2CHRNA4CHRNA3CHRNB1CHRNB4
SCHEMBL1769195 0.82 CHRNB2 (0.54) CHRNB2CHRNA4CHRNA3CHRNB1CHRNB4
SCHEMBL1769225 0.73 CHRNB2 (0.42) CHRNB2CHRNA4CHRNA3CHRNB4DRD2
SCHEMBL14776776 0.72 CHRNB2 (1.00) CHRNB2CHRNA4CHRNA3CHRNB1CHRNB4
SCHEMBL14776666 0.72 CHRNB2 (0.97) CHRNB2CHRNA4CHRNA3CHRNB1CHRNB4
SCHEMBL25344779 0.71 NFE2L2 (0.54) CHRNB2CHRNA4
SCHEMBL14776261 0.71 CHRNB2 (0.97) CHRNB2CHRNA4CHRNA3CHRNB1CHRNB4
SCHEMBL14776556 0.70 CHRNB2 (0.72) CHRNB2CHRNA4CHRNA3CHRNB1CHRNB4
SCHEMBL23634063 0.70 NCF1 (0.47)
SCHEMBL14776559 0.69 CHRNB2 (0.70) CHRNB2CHRNA4CHRNA3CHRNB1CHRNB4

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-2513085-A1 BICYCLIC COMPOUNDS AS alpha4beta2 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS Suven Life Sciences Limited (IN) 2012-10-24 EP claimed
WO-2011061751-A1 BICYCLIC COMPOUNDS AS α4β2 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS SUVEN LIFE SCIENCES LIMITED (IN) 2011-05-26 WO claimed
EP-2513085-A1 BICYCLIC COMPOUNDS AS alpha4beta2 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS Suven Life Sciences Limited (IN) 2012-10-24 EP disclosed
WO-2011061751-A1 BICYCLIC COMPOUNDS AS α4β2 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS SUVEN LIFE SCIENCES LIMITED (IN) 2011-05-26 WO disclosed