SCHEMBL5809114

SCHEMBL5809114

CC(=O)NCC1CN(c2cc(F)c(-c3ccc(-n4cnnn4)s3)c(F)c2)C(=O)O1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.51
MAOB P27338 2/20 0.51
PTGS1 P23219 2/20 0.50
SDHA P31040 2/20 0.50
LMNA P02545 1/20 0.50
CALML3 P27482 1/20 0.50
F10 P00742 5/20 0.43
ABCB11 O95342 1/20 0.42

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
SCHEMBL5805348 0.91 MAOA (0.61) MAOAMAOBPTGS1SDHALMNA
SCHEMBL5809383 0.85 MAOA (0.55) MAOAMAOBPTGS1SDHALMNA
SCHEMBL5804883 0.83 MAOA (0.53) MAOAMAOBPTGS1SDHALMNA
SCHEMBL5806918 0.83 MAOA (0.51) MAOAMAOBPTGS1SDHALMNA
SCHEMBL5807410 0.83 MAOA (0.57) MAOAMAOBPTGS1SDHALMNA
SCHEMBL7841101 0.82 MAOA (0.68) MAOAMAOBPTGS1SDHALMNA
SCHEMBL7841099 0.82 MAOA (0.68) MAOAMAOBPTGS1SDHALMNA
SCHEMBL5810681 0.82 MAOA (0.49) MAOAMAOBPTGS1SDHALMNA
SCHEMBL5804985 0.81 MAOA (0.51) MAOAMAOBPTGS1SDHALMNA
SCHEMBL2898649 0.81 MAOA (0.52) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006018682-A2 OXAZOLIDINONE DERIVATIVES AS ANTIMICROBIALS RANBAXY LABORATORIES LIMITED (IN) 2006-02-23 WO claimed
WO-2006018682-A2 OXAZOLIDINONE DERIVATIVES AS ANTIMICROBIALS RANBAXY LABORATORIES LIMITED (IN) 2006-02-23 WO disclosed