SCHEMBL6918839

SCHEMBL6918839

Cc1ccc(C(=O)CCC(=O)NCC2CN(c3ccccc3N3CCSC[C@@H]3F)C(=O)O2)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.41
MAOB P27338 3/20 0.41
F10 P00742 9/20 0.38
ACKR3 P25106 1/20 0.37
TSHR P16473 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
LMNA P02545 1/20 0.35
PTGS1 P23219 1/20 0.35
CALML3 P27482 1/20 0.35
SDHA P31040 1/20 0.35

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
SCHEMBL6919869 0.85 MAOB (0.40) MAOAMAOBF10LMNAPTGS1
SCHEMBL6920376 0.85 F10 (0.41) MAOAMAOBF10LMNA
SCHEMBL6918620 0.85 MAOA (0.39) MAOAMAOBF10ALDH1A1MAPT
SCHEMBL3520883 0.84 MAOB (0.49) MAOAMAOBF10ACKR3TSHR
SCHEMBL3520886 0.84 MAOB (0.49) MAOAMAOBF10ACKR3TSHR
SCHEMBL3525127 0.79 MAOB (0.48) MAOAMAOBF10ACKR3ALDH1A1
SCHEMBL3525125 0.79 MAOB (0.48) MAOAMAOBF10ACKR3ALDH1A1
SCHEMBL3520884 0.79 MAOB (0.69) MAOAMAOBF10LMNAPTGS1
SCHEMBL3522663 0.76 TSHR (0.35) MAOAMAOBF10ACKR3TSHR
SCHEMBL6919474 0.75 MAOB (0.41) MAOAMAOBF10LMNAPTGS1

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-2004026848-A1 OXAZOLIDINONE DERIVATIVES, PROCESS FOR THEIR PREPERATION AND THEIR USE AS ANTIMYCOBACTERIAL AGENTS LUPIN LIMITED (IN) 2004-04-01 WO claimed