SCHEMBL13367993

SCHEMBL13367993

NC[C@H]1CN(c2cc(F)c(N3CCNN(C(=O)Nc4ccccn4)CC3)c(F)c2)C(=O)O1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOA P21397 8/20 0.41
CALML3 P27482 2/20 0.36
F10 P00742 3/20 0.36
TRPV1 Q8NER1 1/20 0.35
MAOB P27338 4/20 0.34
LMNA P02545 1/20 0.34
PTGS1 P23219 1/20 0.34
SDHA P31040 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34

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
SCHEMBL13357868 0.91 F10 (0.46) MAOACALML3F10MAOBLMNA
SCHEMBL11984193 0.88 F10 (0.39) MAOACALML3F10MAOBLMNA
SCHEMBL13357938 0.81 MAOA (0.39) MAOACALML3F10MAOBLMNA
SCHEMBL13981117 0.80 MAOA (0.48) MAOACALML3F10MAOBLMNA
SCHEMBL13357801 0.80 MAOA (0.48) MAOACALML3F10MAOBLMNA
SCHEMBL13367961 0.80 MAOA (0.40) MAOACALML3F10MAOBLMNA
SCHEMBL13357942 0.79 F10 (0.48) MAOACALML3F10MAOBLMNA
SCHEMBL11983835 0.79 F10 (0.49) MAOACALML3F10MAOBLMNA
SCHEMBL13367945 0.79 MAOA (0.45) MAOACALML3F10MAOBLMNA
SCHEMBL13367943 0.78 MAOA (0.44) MAOACALML3F10MAOBLMNA

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
EP-2181993-A1 Antimicrobial oxazolidinone derivatives Research Foundation Itsuu Laboratory (JP) 2010-05-05 EP disclosed