SCHEMBL4433623

SCHEMBL4433623

COC[C@H]1[C@@H]2CC[C@H](C[C@@H]1c1ccc(Cl)c(Cl)c1)N2

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 5/20 0.61
SLC6A4 P31645 4/20 0.61
SLC6A2 P23975 2/20 0.56
CHRNB2 P17787 6/20 0.50
CHRNA4 P43681 6/20 0.50
CHRNB4 P30926 3/20 0.50
CHRNA3 P32297 3/20 0.50
CHRNA1 P02708 2/20 0.50
CHRNG P07510 2/20 0.50
CHRNB1 P11230 2/20 0.50
CHRND Q07001 2/20 0.50
ITGA5 P08648 1/20 0.50
CHRNA7 P36544 4/20 0.45
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
HPGD P15428 1/20 0.45
CHRNA2 Q15822 1/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL12313096 1.00 SLC6A3 (0.61) SLC6A3SLC6A4SLC6A2CHRNB2CHRNA4
SCHEMBL13227345 1.00 SLC6A3 (0.61) SLC6A3SLC6A4SLC6A2CHRNB2CHRNA4
SCHEMBL2640060 1.00 SLC6A3 (0.61) SLC6A3SLC6A4SLC6A2CHRNB2CHRNA4
SCHEMBL3587139 1.00 SLC6A3 (0.61) SLC6A3SLC6A4SLC6A2CHRNB2CHRNA4
SCHEMBL13255979 0.90 SLC6A3 (0.62) SLC6A3SLC6A4SLC6A2CHRNB2CHRNA4
Cadaverine Tartrate SCHEMBL2639730 0.89 SLC6A3 (0.59) SLC6A3SLC6A4SLC6A2CHRNB2CHRNA4
Cadaverine Tartrate SCHEMBL3553053 0.89 SLC6A3 (0.59) SLC6A3SLC6A4SLC6A2CHRNB2CHRNA4
Cadaverine Tartrate SCHEMBL6013535 0.89 SLC6A3 (0.59) SLC6A3SLC6A4SLC6A2CHRNB2CHRNA4
Cadaverine Tartrate SCHEMBL2639906 0.89 SLC6A3 (0.58) SLC6A3SLC6A4SLC6A2CHRNB2CHRNA4
SCHEMBL1984900 0.88 SLC6A3 (0.57) SLC6A3SLC6A4SLC6A2CHRNB2CHRNA4

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-2132205-A1 HYDROCHLORIDE SALT OF AN AZABICYCLO[3.2.1]OCTANE DERIVATIVE NEUROSEARCH A/S (DK) 2009-12-16 EP disclosed
WO-2008104584-A1 HYDROCHLORIDE SALT OF AN AZABICYCLO[3.2.1]OCTANE DERIVATIVE GLAXO GROUP LIMITED (GB) 2008-09-04 WO disclosed