SCHEMBL6052710

SCHEMBL6052710

O=C1O[C@@H](CO)CN1c1ccc(Br)c(F)c1.[Li]CCCC

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CALML3 P27482 6/20 0.54
MAOB P27338 3/20 0.53
MAOA P21397 2/20 0.53
GRM2 Q14416 8/20 0.48
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
SCHEMBL29021122 0.89 CALML3 (0.65) CALML3MAOBMAOACYP3A4CYP2C19
SCHEMBL30768255 0.89 CALML3 (0.65) CALML3MAOBMAOACYP3A4CYP2C19
SCHEMBL441045 0.89 CALML3 (0.65) CALML3MAOBMAOACYP3A4CYP2C19
SCHEMBL29406421 0.89 CALML3 (0.65) CALML3MAOBMAOACYP3A4CYP2C19
SCHEMBL412800 0.89 CALML3 (0.65) CALML3MAOBMAOACYP3A4CYP2C19
SCHEMBL30468631 0.89 CALML3 (0.65) CALML3MAOBMAOACYP3A4CYP2C19
SCHEMBL851156 0.81 MAOA (0.66) CALML3MAOBMAOAGRM2CYP3A4
SCHEMBL1222787 0.81 CALML3 (0.67) CALML3MAOBMAOAGRM2CYP3A4
SCHEMBL1222791 0.81 CALML3 (0.67) CALML3MAOBMAOAGRM2CYP3A4
SCHEMBL851157 0.81 MAOA (0.66) CALML3MAOBMAOAGRM2CYP3A4

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-1709044-A2 OXAZOLIDINONE-QUINOLONE HYBRID ANTIBIOTICS Morphochem Aktiengesellschaft Für Kombinatorische Chemie (DE) 2006-10-11 EP disclosed
WO-2005058888-A2 OXAZOLIDINONE-QUINOLONE HYBRID ANTIBIOTICS Morphochem Aktiengesellschaft für kombinatorische Chemie (DE) 2005-06-30 WO disclosed