SCHEMBL7833770

SCHEMBL7833770

O=C1O[C@@H](CO)CN1c1ccc(C2=CC(Cc3ccccc3)NCC2)c(F)c1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CALML3 P27482 6/20 0.58
MAOA P21397 8/20 0.44
MAOB P27338 3/20 0.44
GRM2 Q14416 1/20 0.44
CYP2C19 P33261 2/20 0.44
CYP2C9 P11712 1/20 0.44
CYP3A4 P08684 2/20 0.43
CYP2D6 P10635 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
SCHEMBL7470390 0.89 CALML3 (0.48) CALML3MAOAMAOBGRM2CYP2C19
SCHEMBL7000748 0.86 CALML3 (0.42) CALML3MAOAMAOBGRM2
SCHEMBL7845157 0.77 GRM2 (0.41) CALML3MAOAGRM2
SCHEMBL3323276 0.77 CALML3 (0.80) CALML3MAOAMAOBCYP2C19CYP2C9
SCHEMBL3323285 0.77 CALML3 (0.80) CALML3MAOAMAOBCYP2C19CYP2C9
SCHEMBL3323279 0.77 CALML3 (0.80) CALML3MAOAMAOBCYP2C19CYP2C9
SCHEMBL5625330 0.76 CALML3 (0.58) CALML3MAOAMAOBCYP2C19CYP2C9
SCHEMBL5236580 0.76 CALML3 (0.58) CALML3MAOAMAOBCYP2C19CYP2C9
SCHEMBL6925097 0.76 CALML3 (0.58) CALML3MAOAMAOBCYP2C19CYP2C9
SCHEMBL7140238 0.76 GRM2 (0.41) CALML3MAOBGRM2

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-1121358-A1 HETEROCYCLYLAMINOMETHYLOXAZOLIDINONES AS ANTIBACTERIALS AstraZeneca AB (SE) 2001-08-08 EP disclosed
WO-2000021960-A1 HETEROCYCLYL AMINO METHYLOXA ZOLIDINONES AS ANTIBACTERIALS ASTRAZENECA AB (SE) 2000-04-20 WO disclosed