SCHEMBL18508705

SCHEMBL18508705

CC(C)(O)OC(=O)c1cc2[nH]cc(Cl)c2cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 13/20 0.41
GABRG2 P18507 13/20 0.41
GABRB3 P28472 13/20 0.41
GABRA3 P34903 13/20 0.41
GABRA2 P47869 13/20 0.41
GABRA5 P31644 12/20 0.41
GABRA6 Q16445 11/20 0.41
GABRA4 P48169 7/20 0.41
GABRP O00591 2/20 0.41
GABRD O14764 2/20 0.41
GABRB1 P18505 2/20 0.41
GABRB2 P47870 2/20 0.41
GABRE P78334 2/20 0.41
GABRG1 Q8N1C3 2/20 0.41
GABRG3 Q99928 2/20 0.41
GABRQ Q9UN88 2/20 0.41
PRKAG1 P54619 4/20 0.36
PRKAA1 Q13131 4/20 0.36
PRKAB1 Q9Y478 4/20 0.36
NR4A2 P43354 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
SCHEMBL2806960 0.92 GABRG2 (0.50) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL18508704 0.85 GABRA1 (0.37) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL28007337 0.69 GABRG2 (0.43) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL8269421 0.68 TDO2 (0.40) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL28819880 0.67 GABRA1 (0.46) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL3882051 0.66 DYRK1A (0.46) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL25087493 0.64 GABRG2 (0.46) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL2297259 0.64 GABRG2 (0.52) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL3918289 0.64 GABRA1 (0.54) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL22464644 0.62 NR4A2 (0.61) PRKAG1PRKAA1PRKAB1NR4A2

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-2168952-B1 MORPHOLINE DERIVATIVES AS RENIN INHIBITORS MITSUBISHI TANABE PHARMA CORP (JP) 2017-02-15 EP disclosed