SCHEMBL9540274

SCHEMBL9540274

CC(C)(C)OCC(N)C[C@@H]1CCNC1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SLC6A1 P30531 2/20 0.33
▸ GABRA5 P31644 2/20 0.33
▸ GABRB2 P47870 2/20 0.33
▸ SLC6A12 P48065 2/20 0.33
▸ SLC6A11 P48066 2/20 0.33
▸ SLC6A13 Q9NSD5 2/20 0.33
▸ GABRA1 P14867 1/20 0.33
▸ GABRR1 P24046 1/20 0.33
▸ GABRA4 P48169 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
SCHEMBL19709190 0.81 MAPK1 (0.37) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL21667916 0.81 MAPK1 (0.37) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL21667917 0.81 MAPK1 (0.37) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL24428939 0.77 SLC6A1 (0.33) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL21667896 0.73 SLC6A1 (0.39) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL12395690 0.73 SLC6A1 (0.39) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL21667900 0.73 SLC6A1 (0.39) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL7514018 0.71 — —
SCHEMBL27438518 0.71 SLC6A1 (0.40) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL21667842 0.68 SLC6A1 (0.35) 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-0559774-A1 INDIVIDUAL STEREOISOMERS OF 7- 3-(1-AMINOALKYL)-1-PYRROLIDINYL]-QUINOLONES AND NAPHTHYRIDONES AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1993-09-15 — — EP disclosed
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