SCHEMBL5331947

SCHEMBL5331947

CC(C)(C)OC(=O)c1ncc(C=O)[nH]1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 12/20 0.38
▸ GABRG2 P18507 12/20 0.38
▸ GABRB3 P28472 12/20 0.38
▸ GABRA3 P34903 12/20 0.38
▸ GABRA2 P47869 12/20 0.38
▸ GABRA5 P31644 10/20 0.38
▸ GABRA6 Q16445 9/20 0.38
▸ GABRA4 P48169 5/20 0.38
▸ GABRP O00591 1/20 0.38
▸ GABRD O14764 1/20 0.38
▸ GABRB1 P18505 1/20 0.38
▸ GABRB2 P47870 1/20 0.38
▸ GABRE P78334 1/20 0.38
▸ GABRG1 Q8N1C3 1/20 0.38
▸ GABRG3 Q99928 1/20 0.38
▸ GABRQ Q9UN88 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.36
▸ IGF1R P08069 1/20 0.35

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
SCHEMBL23849344 0.81 ALDH1A1 (0.38) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL7841006 0.71 NR1H4 (0.40) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL2213943 0.69 HCAR2 (0.56) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL1078758 0.68 IGF1R (0.41) ALDH1A1IGF1R
SCHEMBL23421123 0.67 SLC7A5 (0.47) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL29220817 0.67 SLC7A5 (0.47) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL14334534 0.66 L3MBTL1 (0.31) —
SCHEMBL2429665 0.66 NPC1 (0.45) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL991875 0.66 GABRG2 (0.42) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL26102097 0.65 ALDH1A1 (0.36) GABRA1GABRG2GABRB3GABRA3GABRA2

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-1812445-A1 PHARMACEUTICAL COMPOUNDS Piramed Limited (GB) 2007-08-01 — — EP disclosed
WO-2006046031-A1 PHARMACEUTICAL COMPOUNDS PIRAMED LIMITED (GB) 2006-05-04 — — WO disclosed
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