SCHEMBL7093576

SCHEMBL7093576

O=C([C@@H](O)CO)N1CC=C(c2c(F)cc(N3CC(Cn4ccnn4)OC3=O)cc2F)CC1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAOA P21397 17/20 0.53
MAOB P27338 1/20 0.50
CYP3A4 P08684 2/20 0.48
CYP2D6 P10635 1/20 0.48
KCNH2 Q12809 1/20 0.47

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
SCHEMBL14345234 1.00 MAOA (0.53) MAOAMAOBCYP3A4CYP2D6KCNH2
SCHEMBL5231053 1.00 MAOA (0.53) MAOAMAOBCYP3A4CYP2D6KCNH2
SCHEMBL5229456 0.90 MAOA (0.63) MAOAMAOBCYP3A4CYP2D6
SCHEMBL5232889 0.89 MAOA (0.53) MAOAMAOBCYP3A4CYP2D6KCNH2
SCHEMBL4017272 0.86 MAOA (0.51) MAOAMAOBKCNH2
SCHEMBL5236005 0.86 MAOA (0.38) MAOAMAOBCYP3A4CYP2D6KCNH2
SCHEMBL5237085 0.85 MAOA (0.50) MAOAMAOBCYP3A4CYP2D6KCNH2
SCHEMBL27591382 0.83 MAOA (0.37) MAOAMAOBCYP3A4CYP2D6KCNH2
SCHEMBL5234209 0.82 MAOA (0.60) MAOAMAOBCYP3A4CYP2D6
SCHEMBL5233346 0.82 MAOA (0.35) MAOAMAOB

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-1286998-A1 OXAZOLIDINONE DERIVATIVES WITH ANTIBIOTIC ACTIVITY AstraZeneca AB (SE) 2003-03-05 EP claimed
WO-2001081350-A1 OXAZOLIDINONE DERIVATIVES WITH ANTIBIOTIC ACTIVITY ASTRAZENECA AB (SE) 2001-11-01 WO claimed