SCHEMBL5507253

SCHEMBL5507253

Clc1ccc(C2NCC23CC3)cn1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 10/20 0.45
CHRNA4 P43681 9/20 0.45
CHRNA3 P32297 7/20 0.45
CHRNB4 P30926 6/20 0.45
CHRNA7 P36544 5/20 0.42
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CHRNA1 P02708 1/20 0.42
CHRNG P07510 1/20 0.42
CHRNB1 P11230 1/20 0.42
HPGD P15428 1/20 0.42
CHRND Q07001 1/20 0.42
CHRNA2 Q15822 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL5508108 0.76 SLC6A2 (0.39) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL29376894 0.70 LIG1 (0.45) CHRNA7ALDH1A1MEN1KMT2A
SCHEMBL3464786 0.70 CHRNB2 (0.45) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL27585166 0.69 CHRNB2 (0.51) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL20401781 0.67 CHRNB2 (0.57) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL30847846 0.66 CHRNB2 (0.53) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL1481609 0.66 CHRNB2 (0.53) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL3464678 0.66 CHRNB2 (0.42) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL13949329 0.66 CHRNB2 (0.51) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL7193197 0.66 CHRNB2 (0.53) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7

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-1802601-A1 AZASPIROALKENE AND AZAPIROALKANE COMPOUNDS WITH NICOTINIC CHOLINERGIC RECEPTOR ACTIVITY Targacept, Inc. (US) 2007-07-04 EP claimed
WO-2006034089-A1 AZASPIROALKENE AND AZASPIROALKANE COMPOUNDS WITH NICOTINIC CHOLINERGIC RECEPTOR ACTIVITY TARGACEPT, INC. (US) 2006-03-30 WO claimed
EP-1802601-A1 AZASPIROALKENE AND AZAPIROALKANE COMPOUNDS WITH NICOTINIC CHOLINERGIC RECEPTOR ACTIVITY Targacept, Inc. (US) 2007-07-04 EP disclosed
WO-2006034089-A1 AZASPIROALKENE AND AZASPIROALKANE COMPOUNDS WITH NICOTINIC CHOLINERGIC RECEPTOR ACTIVITY TARGACEPT, INC. (US) 2006-03-30 WO disclosed