SCHEMBL27759460

SCHEMBL27759460

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

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SLC6A1 P30531 2/20 0.30
▸ GABRA5 P31644 2/20 0.30
▸ GABRB2 P47870 2/20 0.30
▸ SLC6A12 P48065 2/20 0.30
▸ SLC6A11 P48066 2/20 0.30
▸ SLC6A13 Q9NSD5 2/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ ATM Q13315 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ GABRA1 P14867 1/20 0.30
▸ GABRR1 P24046 1/20 0.30
▸ GABRA4 P48169 1/20 0.30

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
SCHEMBL27759458 1.00 SLC6A1 (0.30) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL27537660 0.92 KDM4E (0.38) SLC6A1SLC6A11SLC6A13KDM4EMAPT
SCHEMBL27915636 0.80 SLC6A1 (0.43) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL27664282 0.80 SLC6A1 (0.43) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL27934254 0.80 SLC6A1 (0.43) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL27905600 0.78 CA1 (0.39) —
SCHEMBL27888905 0.78 CA1 (0.39) —
SCHEMBL27568926 0.76 GABRA5 (0.34) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL12536233 0.76 GBA1 (0.34) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
Methyl Alcohol SCHEMBL27528171 0.75 GABRA5 (0.33) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101516889-B Derivatives and analogs of n-ethylquinolones and n-ethylazaquinolones GLAXO GROUP LTD 2013-07-31 — — CN disclosed
CN-101516889-A Derivatives and analogs of n-ethylquinolones and n-ethylazaquinolones GLAXO GROUP LTD (GB) 2009-08-26 — — CN disclosed
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