SCHEMBL5765816

SCHEMBL5765816

C=C[C@@H]1CNCC[C@H]1CC(=O)OC

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A1 P30531 2/20 0.34
GABRA5 P31644 2/20 0.34
GABRB2 P47870 2/20 0.34
SLC6A12 P48065 2/20 0.34
SLC6A11 P48066 2/20 0.34
SLC6A13 Q9NSD5 2/20 0.34
GABRA1 P14867 1/20 0.34
GABRR1 P24046 1/20 0.34
GABRA4 P48169 1/20 0.34
CYP2D6 P10635 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 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
SCHEMBL5765812 1.00 SLC6A1 (0.34) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL11481909 0.87 MAPT (0.36) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL11481907 0.87 MAPT (0.36) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL11481905 0.87 MAPT (0.36) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL10354008 0.84 SLC6A1 (0.32) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL6216915 0.81 SLC6A1 (0.32) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL11480598 0.81 SLC6A11 (0.50) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL8975257 0.81 SLC6A11 (0.50) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL5654855 0.81 SLC6A11 (0.50) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL5654853 0.81 SLC6A11 (0.50) SLC6A1GABRA5GABRB2SLC6A12SLC6A11

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-1392686-B1 BICYCLIC NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVES FOR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2006-10-18 EP disclosed