SCHEMBL28079570

SCHEMBL28079570

CC(C(N)=O)[C@H]1CN(c2ccc([Sn](C)(C)C)c(F)c2)C(=O)O1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOA P21397 9/20 0.43
CALML3 P27482 7/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAOB P27338 4/20 0.38
LMNA P02545 1/20 0.38
PTGS1 P23219 1/20 0.38
SDHA P31040 1/20 0.38
F10 P00742 1/20 0.37

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
SCHEMBL28079572 1.00 MAOA (0.43) MAOACALML3CYP3A4CYP2C19MAOB
SCHEMBL6233214 0.84 MAOA (0.45) MAOACALML3CYP3A4CYP2C19MAOB
SCHEMBL6233210 0.84 MAOA (0.45) MAOACALML3CYP3A4CYP2C19MAOB
SCHEMBL27573655 0.84 MAOA (0.45) MAOACALML3CYP3A4CYP2C19MAOB
SCHEMBL3035204 0.84 MAOA (0.60) MAOACALML3MAOBLMNAPTGS1
Trimethylammonium SCHEMBL27573776 0.81 MAOA (0.43) MAOACALML3CYP3A4CYP2C19MAOB
SCHEMBL8501013 0.81 FADS1 (0.53) MAOACALML3MAOBLMNA
SCHEMBL28110349 0.81 MAOB (0.52) MAOACALML3MAOBLMNAPTGS1
SCHEMBL5198029 0.80 MAOA (0.45) MAOACALML3CYP3A4CYP2C19MAOB
SCHEMBL28110344 0.80 MAOB (0.51) MAOACALML3MAOBLMNAPTGS1

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
CN-102516238-B Oxazolidinone derivative 东亚ST株式会社 2016-08-03 CN disclosed
CN-102702184-B Oxazolidinone derivative 东亚ST株式会社 2016-06-08 CN disclosed