SCHEMBL9705746

SCHEMBL9705746

COc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)cc1CO

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GABRA2 P47869 4/20 0.44
GABRB2 P47870 4/20 0.44
GABRB3 P28472 1/20 0.44

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
SCHEMBL9704112 0.85 GABRA2 (0.42) GABRA2GABRB2GABRB3
SCHEMBL9704388 0.81 GABRB3 (0.47) GABRA2GABRB2GABRB3
SCHEMBL16634906 0.77 TRPA1 (0.49)
SCHEMBL9703920 0.77 GABRA2 (0.44) GABRA2GABRB2GABRB3
SCHEMBL9704083 0.76 GABRA2 (0.50) GABRA2GABRB2GABRB3
SCHEMBL9704299 0.72 GABRA2 (0.44) GABRA2GABRB2GABRB3
SCHEMBL17979259 0.72 TRPA1 (0.48)
SCHEMBL9704314 0.70 GABRA2 (0.45) GABRA2GABRB2GABRB3
SCHEMBL9780177 0.70 GABRA2 (0.50) GABRA2GABRB2GABRB3
SCHEMBL16634911 0.69 TRPA1 (0.48)

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
WO-1992013451-A1 IMIDAZOLE PESTICIDES SCHERING AGROCHEMICALS LIMITED (GB) 1992-08-20 WO disclosed