SCHEMBL5808977

SCHEMBL5808977

CC(=O)NCC1CN(c2cc(F)c(-c3cnc(-n4cnnn4)c(F)c3)c(F)c2)C(=O)O1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOA P21397 6/20 0.48
MAOB P27338 3/20 0.48
PTGS1 P23219 2/20 0.48
SDHA P31040 2/20 0.48
LMNA P02545 1/20 0.48
CALML3 P27482 1/20 0.48
ABCB11 O95342 1/20 0.43

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
SCHEMBL5810681 0.90 MAOA (0.49) MAOAMAOBPTGS1SDHALMNA
SCHEMBL5806918 0.88 MAOA (0.51) MAOAMAOBPTGS1SDHALMNA
SCHEMBL5804985 0.88 MAOA (0.51) MAOAMAOBPTGS1SDHALMNA
SCHEMBL5809383 0.86 MAOA (0.55) MAOAMAOBPTGS1SDHALMNA
SCHEMBL5807410 0.86 MAOA (0.57) MAOAMAOBPTGS1SDHALMNA
SCHEMBL5804883 0.82 MAOA (0.53) MAOAMAOBPTGS1SDHALMNA
SCHEMBL5805368 0.81 MAOA (0.59) MAOAMAOBPTGS1SDHALMNA
SCHEMBL2897060 0.81 MAOA (0.56) MAOAMAOBPTGS1SDHALMNA
SCHEMBL6793207 0.81 MAOA (0.60) MAOAMAOBPTGS1SDHALMNA
SCHEMBL5809114 0.80 MAOA (0.51) 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