SCHEMBL652472

SCHEMBL652472

CC(C)(C)C1C[C@H]2CN(C(=O)O)C[C@H]2N1c1cncc(O)c1

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.37
CHRNA4 P43681 1/20 0.37

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
SCHEMBL650731 0.85 CHRNB2 (0.40) CHRNB2CHRNA4
SCHEMBL653927 0.85 CHRNB2 (0.40) CHRNB2CHRNA4
SCHEMBL650660 0.82 CHRNB2 (0.39) CHRNB2CHRNA4
SCHEMBL654093 0.82 GPR119 (0.41) CHRNB2CHRNA4
SCHEMBL651845 0.82 GPR119 (0.41) CHRNB2CHRNA4
SCHEMBL2415457 0.79 KDM4E (0.33)
SCHEMBL649954 0.77 CHRNB2 (0.38) CHRNB2CHRNA4
SCHEMBL650889 0.77 CHRNB2 (0.38) CHRNB2CHRNA4
SCHEMBL3582649 0.73 CHRNB2 (0.44) CHRNB2CHRNA4
SCHEMBL23089797 0.72 RXRA (0.34)

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