SCHEMBL9687664

SCHEMBL9687664

[CH2]c1c(C(=O)OC(C)(C)C)[nH]c2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.51
GABRG2 P18507 3/20 0.51
GABRB3 P28472 3/20 0.51
GABRA3 P34903 3/20 0.51
GABRA2 P47869 3/20 0.51
GABRA5 P31644 2/20 0.51
GABRA6 Q16445 2/20 0.51
GABRP O00591 1/20 0.51
GABRD O14764 1/20 0.51
GABRB1 P18505 1/20 0.51
GABRB2 P47870 1/20 0.51
GABRA4 P48169 1/20 0.51
GABRE P78334 1/20 0.51
GABRG1 Q8N1C3 1/20 0.51
GABRG3 Q99928 1/20 0.51
GABRQ Q9UN88 1/20 0.51
ALDH1A1 P00352 6/20 0.48
HPGD P15428 4/20 0.48
HSD17B10 Q99714 3/20 0.48
MAPT P10636 3/20 0.48

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
SCHEMBL14602590 0.83 ALDH1A1 (0.63) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL5488153 0.82 GABRA1 (0.51) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL6049264 0.82 GABRA1 (0.51) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL29236560 0.82 GABRA1 (0.51) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL30580683 0.81 KDM4E (0.54) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL9218524 0.79 GABRA1 (0.52) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL9215592 0.79 GABRA1 (0.49) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL3695771 0.79 GABRA1 (0.49) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL29643083 0.79 GABRA1 (0.49) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL30688567 0.79 NR4A2 (0.60) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0511879-A1 Pyrazine derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-11-04 EP disclosed