SCHEMBL8822129

SCHEMBL8822129

CS(=O)(=O)OC[C@@H]1CN(c2ccc(-n3cnc(Br)c3)c(F)c2)C(=O)O1.O=C1O[C@H](CO)CN1c1ccc(-n2cnc(Br)c2)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CALML3 P27482 7/20 0.47
MAOB P27338 8/20 0.44
MAOA P21397 7/20 0.43
CYP2C19 P33261 2/20 0.41
CYP3A4 P08684 1/20 0.41
LMNA P02545 1/20 0.41
PTGS1 P23219 1/20 0.41
SDHA P31040 1/20 0.41
CYP2C9 P11712 1/20 0.40

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
SCHEMBL8822067 0.90 CALML3 (0.56) CALML3MAOBMAOACYP2C19CYP3A4
SCHEMBL5657145 0.86 MAOB (0.48) CALML3MAOBMAOALMNAPTGS1
SCHEMBL4018839 0.86 MAOB (0.48) CALML3MAOBMAOALMNAPTGS1
SCHEMBL13939851 0.84 MAOB (0.46) CALML3MAOBMAOACYP2C19CYP3A4
SCHEMBL3755981 0.81 MAOB (0.43) CALML3MAOBMAOALMNAPTGS1
SCHEMBL7659799 0.81 MAOB (0.43) CALML3MAOBMAOALMNAPTGS1
SCHEMBL3755980 0.81 MAOB (0.43) CALML3MAOBMAOALMNAPTGS1
SCHEMBL5235589 0.81 CALML3 (0.56) CALML3MAOBMAOACYP2C19CYP3A4
SCHEMBL13081072 0.81 CALML3 (0.56) CALML3MAOBMAOACYP2C19CYP3A4
SCHEMBL5834576 0.81 CALML3 (0.56) CALML3MAOBMAOACYP2C19CYP3A4

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-1997031917-A9 SUBSTITUTED PHENYLOXAZOLIDINONES AND THEIR USE AS ANTIBIOTICS 1997-10-30 WO disclosed
WO-1997031917-A1 SUBSTITUTED PHENYLOXAZOLIDINONES AND THEIR USE AS ANTIBIOTICS ZENECA LIMITED (GB) 1997-09-04 WO disclosed