SCHEMBL4597180

SCHEMBL4597180

C[C@@H]1CNC[C@H](C)[N+]1(C(=O)[O-])C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA4 P43681 1/20 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
SCHEMBL1430292 0.71
SCHEMBL377529 0.71
SCHEMBL2907727 0.60
SCHEMBL3221160 0.58
SCHEMBL14191718 0.55 CHRNB2 (0.35) CHRNB2CHRNA7CHRNA4
SCHEMBL15001268 0.54 ALDH1A1 (0.35) CHRNB2CHRNA7CHRNA4
SCHEMBL17743432 0.53
SCHEMBL17743459 0.53 MC4R (0.36) CHRNB2CHRNA7CHRNA4
Potassium Ion SCHEMBL11889137 0.53
Acetic Acid SCHEMBL25296519 0.53 CHRNB2 (0.34) CHRNB2CHRNA7CHRNA4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1907374-A2 COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-04-09 EP disclosed
WO-2007012479-A2 BENZYLPIPERAZINE DERIVATES AND THEIR MEDICAL USE GLAXO GROUP LIMITED (GB) 2007-02-01 WO disclosed