SCHEMBL5220387

SCHEMBL5220387

CNC(=S)NC[C@H]1CN(c2cc(F)c(-c3ccc(-n4ccnn4)nc3)c(F)c2)C(=O)O1

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAOA P21397 16/20 0.45
CYP3A4 P08684 3/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 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
SCHEMBL2897013 0.90 MAOA (0.51) MAOA
SCHEMBL2897678 0.86 MAOA (0.40) MAOACYP3A4CYP2C9
SCHEMBL6793468 0.81 MAOA (0.62) MAOACYP3A4CYP2D6
SCHEMBL2890962 0.79 MAOA (0.49) MAOA
SCHEMBL5804985 0.79 MAOA (0.51) MAOA
SCHEMBL2890869 0.78 MAOA (0.43) MAOACYP3A4
SCHEMBL2896286 0.77 MAOA (0.49) MAOACYP3A4CYP2C9
SCHEMBL1380456 0.77 MAOA (0.66) MAOACYP3A4CYP2D6
SCHEMBL14852816 0.77 MAOA (0.66) MAOACYP3A4CYP2D6
SCHEMBL2896788 0.77 F10 (0.40) MAOACYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1799677-A1 OXAZOLIDINONE DERIVATIVES AS ANTIMICROBIALS Ranbaxy Laboratories Limited (IN) 2007-06-27 EP disclosed
WO-2006038100-A1 OXAZOLIDINONE DERIVATIVES AS ANTIMICROBIALS RANBAXY LABORATORIES LIMITED (IN) 2006-04-13 WO disclosed