SCHEMBL7526151

SCHEMBL7526151

CC(C)NCCCOc1cccnc1.ClCCCOc1cccnc1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 6/20 0.60
CHRNA4 P43681 6/20 0.60
ADRB2 P07550 1/20 0.46
HTR1B P28222 1/20 0.42
NR2E1 Q9Y466 1/20 0.42
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL7104124 0.94 CHRNB2 (0.67) CHRNB2CHRNA4ADRB2HTR1BNR2E1
SCHEMBL10992939 0.90 CHRNB2 (0.69) CHRNB2CHRNA4HTR1B
SCHEMBL1875084 0.83 CHRNB2 (0.62) CHRNB2CHRNA4TDP1
SCHEMBL7243314 0.78 CHRNB2 (0.61) CHRNB2CHRNA4TDP1
SCHEMBL6254868 0.77 CHRNB2 (0.90) CHRNB2CHRNA4HTR1B
SCHEMBL1872230 0.77 CHRNB2 (0.62) CHRNB2CHRNA4
SCHEMBL7530940 0.76 LMNA (0.58) CHRNB2CHRNA4
SCHEMBL30756567 0.76 CHRNB2 (1.00) CHRNB2CHRNA4HTR1B
SCHEMBL7101352 0.76 CHRNB2 (1.00) CHRNB2CHRNA4HTR1B
SCHEMBL23067927 0.75 CHRNB2 (0.74) CHRNB2CHRNA4

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