SCHEMBL9768087

SCHEMBL9768087

OCc1cnn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.43
GABRA2 P47869 12/20 0.42
GABRB2 P47870 12/20 0.42
GABRB3 P28472 9/20 0.42
ALDH1A1 P00352 2/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
GABRP O00591 3/20 0.40
GABRD O14764 3/20 0.40
GABRA1 P14867 3/20 0.40
GABRB1 P18505 3/20 0.40
GABRG2 P18507 3/20 0.40
GABRA5 P31644 3/20 0.40
GABRA3 P34903 3/20 0.40
GABRA4 P48169 3/20 0.40
GABRE P78334 3/20 0.40
GABRA6 Q16445 3/20 0.40
GABRG1 Q8N1C3 3/20 0.40
GABRG3 Q99928 3/20 0.40
GABRQ Q9UN88 3/20 0.40

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
SCHEMBL9217807 0.85 GABRA2 (0.41) GABRA2GABRB2GABRB3GABRPGABRD
SCHEMBL9219663 0.85 GABRB3 (0.44) GABRA2GABRB2GABRB3GABRPGABRD
Methane SCHEMBL27278091 0.84 GABRA2 (0.40) GABRA2GABRB2GABRB3GABRPGABRD
SCHEMBL27326571 0.82 ALDH1A1 (0.44) GABRA2GABRB2GABRB3ALDH1A1GABRP
SCHEMBL9501605 0.82 SMN1; SMN2 (0.40) GABRA2GABRB2GABRB3ALDH1A1GABRP
SCHEMBL9213839 0.82 GABRB3 (0.41) GABRA2GABRB2GABRB3ALDH1A1GAA
SCHEMBL9394102 0.82 GABRB3 (0.44) GABRA2GABRB2GABRB3GABRPGABRD
SCHEMBL9768114 0.82 GABRA2 (0.40) GABRA2GABRB2GABRB3GABRPGABRD
SCHEMBL9219343 0.82 GABRA2 (0.40) GABRA2GABRB2GABRB3ALDH1A1GABRP
SCHEMBL27279278 0.81 GABRA2 (0.40) GABRA2GABRB2GABRB3GABRPGABRD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5064844-A Miticides SCHERING AGROCHEMICALS LIMITED (GB) 1991-11-12 US disclosed
CN-1039345-A TRIAZOLE INSECTICIDES SCHERING AGROCHEMICALS LTD (GB) 1990-02-07 CN disclosed
EP-0350237-A2 Triazole insecticides SCHERING AGROCHEMICALS LIMITED (GB) 1990-01-10 EP disclosed