SCHEMBL469770

SCHEMBL469770

O=CNC[C@H]1CN(c2ccc(-c3ccc(N4CCC(F)C4=O)nc3)c(F)c2F)C(=O)O1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F10 P00742 9/20 0.37
CYP2C19 P33261 2/20 0.36
CYP2C9 P11712 1/20 0.36
MAOB P27338 2/20 0.35
CYP3A4 P08684 1/20 0.35
MAOA P21397 1/20 0.35
CALML3 P27482 1/20 0.34
CETP P11597 3/20 0.33
ITGB3 P05106 1/20 0.33
ITGA2B P08514 1/20 0.33

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
SCHEMBL412056 0.89 CALML3 (0.43) F10CYP2C19CYP2C9MAOBCYP3A4
SCHEMBL412968 0.87 MAOA (0.37) CYP2C19CYP2C9MAOBCYP3A4MAOA
SCHEMBL463275 0.86 F10 (0.40) F10MAOBMAOACALML3CETP
SCHEMBL412683 0.75 MAOA (0.44) F10CYP2C19CYP2C9MAOBCYP3A4
SCHEMBL412177 0.74 CNR2 (0.45) F10CYP2C19CYP2C9MAOBCYP3A4
SCHEMBL412753 0.74 CALML3 (0.48) CYP2C19CYP2C9MAOBCYP3A4MAOA
SCHEMBL412048 0.74 MAOA (0.44) CYP2C19CYP2C9MAOBCYP3A4MAOA
SCHEMBL411141 0.74 CALML3 (0.64) CYP2C19CYP2C9MAOBCYP3A4MAOA
SCHEMBL463353 0.74 F10 (0.44) F10MAOBMAOACALML3CETP
SCHEMBL412043 0.74 CALML3 (0.48) F10CYP2C19CYP2C9MAOBCYP3A4

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-2012033952-A1 3 - PHENYL- 2 -OXO- 1, 3 -OXAZOLIDINES FOR TREATMENT OF BACTERIAL INFECTIONS MICURX PHARMACEUTICALS, INC. (KY) 2012-03-15 WO disclosed