SCHEMBL13404010

SCHEMBL13404010

NC[C@H]1CN(c2ccc(N3CCCCC3)c(F)c2)C(=O)O1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 7/20 0.58
MAOB P27338 12/20 0.56
MAOA P21397 4/20 0.56
CALML3 P27482 2/20 0.56
LMNA P02545 1/20 0.56
PTGS1 P23219 1/20 0.56
SDHA P31040 1/20 0.56

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
SCHEMBL3525075 1.00 F10 (0.58) F10MAOBMAOACALML3LMNA
SCHEMBL3523994 0.99 F10 (0.59) F10MAOBMAOACALML3LMNA
SCHEMBL3523989 0.99 F10 (0.59) F10MAOBMAOACALML3LMNA
SCHEMBL18396724 0.91 MAOB (0.62) F10MAOBMAOACALML3LMNA
SCHEMBL18396726 0.91 MAOB (0.62) F10MAOBMAOACALML3LMNA
SCHEMBL13367963 0.90 MAOB (0.53) F10MAOBMAOACALML3LMNA
SCHEMBL1336215 0.89 MAOB (0.69) F10MAOBMAOACALML3LMNA
SCHEMBL5111174 0.89 MAOB (0.55) F10MAOBMAOACALML3LMNA
SCHEMBL5111165 0.89 MAOB (0.55) F10MAOBMAOACALML3LMNA
SCHEMBL29439547 0.89 MAOB (0.69) F10MAOBMAOACALML3LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7691889-B2 Antimycobacterial compounds LUPIN LIMITED (IN) 2010-04-06 US disclosed
US-7691889-B2 Antimycobacterial compounds LUPIN LIMITED (IN) 2010-04-06 US disclosed
EP-1768967-B1 NOVEL INTERMEDIATES FOR LINEZOLID AND RELATED COMPOUNDS SYMED LABS LTD (IN) 2009-04-22 EP disclosed