SCHEMBL4752748

SCHEMBL4752748

O=C(CS)NCC1CN(c2ccc(-c3nc(Cc4ncc[nH]4)c[nH]3)c(F)c2)C(=O)O1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOA P21397 8/20 0.46
CALML3 P27482 3/20 0.43
MAOB P27338 3/20 0.41
LMNA P02545 1/20 0.41
PTGS1 P23219 1/20 0.41
SDHA P31040 1/20 0.41
F10 P00742 4/20 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
SCHEMBL4750487 0.92 MAOA (0.49) MAOACALML3MAOBLMNAPTGS1
SCHEMBL4752725 0.85 CALML3 (0.46) MAOACALML3MAOB
SCHEMBL4812471 0.84 MAOA (0.45) MAOACALML3MAOBLMNAPTGS1
SCHEMBL8822101 0.79 MAOA (0.63) MAOACALML3MAOBLMNAPTGS1
SCHEMBL8102119 0.79 MAOA (0.62) MAOACALML3MAOBLMNAPTGS1
SCHEMBL4753020 0.79 MAOA (0.62) MAOACALML3MAOBLMNAPTGS1
SCHEMBL8822103 0.78 MAOA (0.66) MAOACALML3MAOBLMNAPTGS1
SCHEMBL8117437 0.78 MAOA (0.61) MAOACALML3MAOBLMNAPTGS1
SCHEMBL8822058 0.77 MAOA (0.60) MAOACALML3MAOBLMNAPTGS1
SCHEMBL8111222 0.76 MAOA (0.55) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008143649-A2 NOVEL OXAZOLIDINONE COMPOUNDS AS ANTIINFECTIVE AGENTS DR. REDDY'S LABORATORIES LIMITED (IN) 2008-11-27 WO disclosed