SCHEMBL4634892

SCHEMBL4634892

CC(=O)NC[C@H]1CN(c2ccc(OCC3(OP(=O)(O)O)CCN(c4nc5c(cc4F)c(=O)ccn5C4CC4)CC3)c(F)c2)C(=O)O1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.43
MAOB P27338 3/20 0.43
PTGS1 P23219 2/20 0.43
SDHA P31040 2/20 0.43
LMNA P02545 1/20 0.43
CALML3 P27482 1/20 0.43
F10 P00742 2/20 0.39

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
SCHEMBL10063624 0.90 DPP4 (0.42) MAOAMAOBPTGS1SDHALMNA
SCHEMBL2109049 0.90 DPP4 (0.42) MAOAMAOBPTGS1SDHALMNA
SCHEMBL2110465 0.82 DPP4 (0.42) MAOAMAOBPTGS1SDHALMNA
SCHEMBL12342304 0.81 TOP2B (0.51) MAOAMAOBPTGS1SDHALMNA
SCHEMBL16271842 0.80 DPP4 (0.42) MAOAMAOBPTGS1SDHALMNA
SCHEMBL29395141 0.80 TOP2B (0.49) MAOAMAOBPTGS1SDHALMNA
SCHEMBL9890815 0.80 TOP2B (0.49) MAOAMAOBPTGS1SDHALMNA
SCHEMBL2109002 0.80 TOP2B (0.49) MAOAMAOBPTGS1SDHALMNA
SCHEMBL28492877 0.80 MAOA (0.47) MAOAMAOBPTGS1SDHALMNA
SCHEMBL9890813 0.80 DPP4 (0.45) MAOAMAOBPTGS1SDHALMNA

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-1620098-B1 USE OF OXAZOLIDINONE-QUINOLINE HYBRID ANTIBIOTICS FOR THE TREATMENT OF ANTHRAX AND OTHER INFECTIONS MORPHOCHEM AG KOMB CHEMIE (DE) 2008-06-11 EP disclosed