SCHEMBL7530388

SCHEMBL7530388

CN1CCC(Oc2cccnc2)CC1.CN1CCC(Oc2cccnc2)CC1

nearest known ligand 0.85

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 4/20 0.55
CHRNA4 P43681 4/20 0.55
OGA O60502 1/20 0.52
CHRNB4 P30926 2/20 0.50
CHRNA3 P32297 2/20 0.50
CHRNA1 P02708 1/20 0.50
CHRNB1 P11230 1/20 0.50
CHRNA7 P36544 1/20 0.50
CHRNB3 Q05901 1/20 0.50
PDE3B Q13370 1/20 0.49
PDE3A Q14432 1/20 0.49
PDE10A Q9Y233 1/20 0.49
EPHX2 P34913 1/20 0.49

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
SCHEMBL7237136 1.00 CHRNB2 (0.55) CHRNB2CHRNA4OGACHRNB4CHRNA3
SCHEMBL6311327 0.92 CHRNB2 (0.54) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
SCHEMBL24521960 0.92 CHRNB2 (0.54) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
SCHEMBL6306245 0.92 CHRNB2 (0.54) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
SCHEMBL1936160 0.85 CHRM2 (0.62) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
SCHEMBL16845110 0.84 CHRNB2 (0.67) CHRNB2CHRNA4OGACHRNB4CHRNA3
SCHEMBL31276985 0.84 CHRNB2 (0.67) CHRNB2CHRNA4OGACHRNB4CHRNA3
SCHEMBL12819481 0.83 CHRNB2 (0.54) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
SCHEMBL20147421 0.83 OGA (0.57) CHRNB2CHRNA4OGACHRNB4CHRNA3
Hydrochloric Acid SCHEMBL16823600 0.83 CHRNB2 (0.65) CHRNB2CHRNA4OGACHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6441006-B2 NERVOUS SYSTEM DISORDERS TARGACEPT, INC. 2002-08-27 US disclosed
EP-1185513-A2 ARYL SUBSTITUTED ALKYLAMINES CAPABLE OF ACTIVATING NICOTINIC CHOLINERGIC RECEPTORS Targacept, Inc. (US) 2002-03-13 EP disclosed
WO-2000071520-A2 ARYL SUBSTITUTED ALKYLAMINES CAPABLE OF ACTIVATING NICOTINIC CHOLINERGIC RECEPTORS TARGACEPT, INC. (US) 2000-11-30 WO disclosed