SCHEMBL649861

SCHEMBL649861

C=Cc1cc(N2C[C@H]3CC(C(C)(C)C)N(C(=O)O)[C@H]3C2)cnc1Br

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 5/20 0.33
CHRNB4 P30926 5/20 0.33
CHRNA3 P32297 5/20 0.33
CHRNA4 P43681 5/20 0.33

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
SCHEMBL652867 0.83 CHRNB2 (0.33) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL652443 0.82 CHRNB2 (0.50) CHRNB2CHRNB4CHRNA3CHRNA4
Hydrochloric Acid SCHEMBL653101 0.82 CHRNB2 (0.50) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL649487 0.81 CHRNB2 (0.34) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL652499 0.81 CHRNB2 (0.35) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL654454 0.80 CHRNB2 (0.35) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL650035 0.79 CHRNB2 (0.44) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL650738 0.79 CHRNB2 (0.44) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL651979 0.79 CHRNB2 (0.46) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL653607 0.79 CHRNB2 (0.46) CHRNB2CHRNB4CHRNA3CHRNA4

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-8119635-B2 Diazabicyclic central nervous system active agents ABBOTT LABORATORIES (US) 2012-02-21 US disclosed
EP-2298775-A1 Diazabicyclic central nervous system active agents Abbott Laboratories (US) 2011-03-23 EP disclosed
EP-2295437-A1 Diazabicyclic central nervous system active agents Abbott Laboratories (US) 2011-03-16 EP disclosed