SCHEMBL16686176

SCHEMBL16686176

O=C1OC(CI)CN1c1ccc(Br)cc1F

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.44
MAOB P27338 12/20 0.43
MAOA P21397 4/20 0.42
CALML3 P27482 2/20 0.42
LMNA P02545 1/20 0.42
PTGS1 P23219 1/20 0.42
SDHA P31040 1/20 0.42
F10 P00742 5/20 0.41

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
SCHEMBL16686174 1.00 GRM2 (0.44) GRM2MAOBMAOACALML3LMNA
SCHEMBL16685649 0.87 CALML3 (0.50) GRM2MAOBMAOACALML3LMNA
SCHEMBL2897920 0.87 CALML3 (0.50) GRM2MAOBMAOACALML3LMNA
SCHEMBL16685760 0.85 MAOA (0.40) GRM2MAOBMAOAF10
SCHEMBL16685757 0.85 MAOA (0.40) GRM2MAOBMAOAF10
SCHEMBL27832587 0.84 GRM2 (0.47) GRM2MAOBMAOACALML3LMNA
SCHEMBL16686180 0.82 MAOA (0.38) GRM2MAOBMAOACALML3LMNA
SCHEMBL16686182 0.82 MAOA (0.38) GRM2MAOBMAOACALML3LMNA
SCHEMBL12069974 0.80 GRM2 (0.39) GRM2MAOB
SCHEMBL16686237 0.77 GRM2 (0.50) GRM2F10

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-2015066413-A1 OXAZOLIDINONE HYDROXAMIC ACID COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS NOVARTIS AG (CH) 2015-05-07 WO disclosed