SCHEMBL8310014

SCHEMBL8310014

CC(=O)NC[C@H]1CN(c2ccc(N3CCN(c4nc(Cl)ncc4C)CC3)c(F)c2)C(=O)O1

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.67
MAOB P27338 4/20 0.67
PTGS1 P23219 2/20 0.67
SDHA P31040 2/20 0.67
LMNA P02545 1/20 0.67
CALML3 P27482 1/20 0.67
F10 P00742 10/20 0.55

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
SCHEMBL29085061 0.89 MAOA (0.51) MAOAMAOBPTGS1SDHALMNA
SCHEMBL30536560 0.89 MAOA (0.51) MAOAMAOBPTGS1SDHALMNA
SCHEMBL8310613 0.87 MAOA (0.67) MAOAMAOBPTGS1SDHALMNA
SCHEMBL8308212 0.87 MAOB (0.69) MAOAMAOBPTGS1SDHALMNA
SCHEMBL8576105 0.87 MAOB (0.69) MAOAMAOBPTGS1SDHALMNA
SCHEMBL8575891 0.86 MAOA (0.70) MAOAMAOBPTGS1SDHALMNA
SCHEMBL8575885 0.86 MAOA (0.70) MAOAMAOBPTGS1SDHALMNA
SCHEMBL8577292 0.85 MAOB (0.71) MAOAMAOBPTGS1SDHALMNA
SCHEMBL8577295 0.85 MAOB (0.71) MAOAMAOBPTGS1SDHALMNA
SCHEMBL8577698 0.85 MAOB (0.74) 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
EP-0918769-A1 SUBSTITUTED PIPERAZINYL-PHENYL-OXAZOLIDINONE DERIVATIVES AND THEIR USE AS ANTI-BACTERIAL AGENTS AstraZeneca AB (SE) 1999-06-02 EP disclosed
WO-1998001446-A1 SUBSTITUTED PIPERAZINYL-PHENYL-OXAZOLIDINONE DERIVATIVES AND THEIR USE AS ANTI-BACTERIAL AGENTS ZENECA LIMITED (GB) 1998-01-15 WO disclosed