SCHEMBL8525154

SCHEMBL8525154

CCOC(=O)c1noc(C2CC2)c1C(=O)c1ccc(-n2nccn2)c(Br)c1C

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 16/20 0.44
HCRTR1 O43613 8/20 0.38
ENPP2 Q13822 1/20 0.36
GABRA1 P14867 2/20 0.35
GABRG2 P18507 2/20 0.35
GABRB3 P28472 2/20 0.35
GABRA5 P31644 2/20 0.35
GABRA3 P34903 2/20 0.35
GABRA2 P47869 2/20 0.35
GABRA6 Q16445 2/20 0.35
HSP90AA1 P07900 1/20 0.34

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
SCHEMBL8525146 0.90 HCRTR2 (0.40) HCRTR2HCRTR1ENPP2GABRA1GABRG2
SCHEMBL8524560 0.87 HCRTR2 (0.42) HCRTR2HCRTR1ENPP2GABRG2GABRB3
SCHEMBL8525068 0.86 HCRTR2 (0.35) HCRTR2HCRTR1GABRA1GABRG2GABRB3
SCHEMBL8524136 0.86 GABRG2 (0.34) HCRTR2GABRA1GABRG2GABRB3GABRA5
SCHEMBL8525657 0.85 HCRTR2 (0.42) HCRTR2HCRTR1ENPP2GABRG2GABRB3
SCHEMBL8488140 0.84 GABRG2 (0.38) HCRTR2GABRA1GABRG2GABRB3GABRA5
SCHEMBL8524553 0.82 HCRTR2 (0.40) HCRTR2HCRTR1ENPP2GABRG2GABRB3
SCHEMBL6292090 0.82 HTT (0.39) HCRTR2
SCHEMBL8525775 0.81 HCRTR2 (0.43) HCRTR2HCRTR1ENPP2GABRG2GABRB3
SCHEMBL8524334 0.81 HCRTR2 (0.43) HCRTR2HCRTR1

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-1999003856-A1 4-BENZOYL-ISOXAZOLE- AND -PYRAZOLE DERIVATIVES AND 2-CYANO 1,3-DIONE DERIVATIVES AS HERBICIDES RHONE-POULENC AGRICULTURE LIMITED (GB) 1999-01-28 WO disclosed