SCHEMBL5043529

SCHEMBL5043529

Clc1ccc(N2C[C@H]3CC[C@@H]2CN3)nn1

nearest known ligand 0.76

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 5/20 0.54
CHRNA4 P43681 5/20 0.54
CHRNB4 P30926 2/20 0.47
CHRNA3 P32297 2/20 0.47
HDAC1 Q13547 1/20 0.42
GRM2 Q14416 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
SCHEMBL5034127 0.87 CHRNB2 (0.61) CHRNB2CHRNA4
SCHEMBL6625406 0.87 CHRNB2 (0.61) CHRNB2CHRNA4
SCHEMBL2963520 0.87 CHRNB2 (0.61) CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL7250231 0.85 CHRNB2 (0.59) CHRNB2CHRNA4
SCHEMBL25646901 0.78 CHRNB2 (0.57) CHRNB2CHRNA4CHRNB4CHRNA3HDAC1
SCHEMBL5377778 0.75 CHRNB2 (0.79) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL5038459 0.75 CHRNB2 (0.79) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL7687469 0.75 CHRNB2 (0.68) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL7241098 0.72 CHRNB2 (0.57) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL5034061 0.72 CHRNB2 (0.45) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1359152-B1 Diazabicyclic derivatives as nicotinic acetylcholine receptor ligands ABBOTT LAB (US) 2008-05-07 EP claimed