SCHEMBL7857435

SCHEMBL7857435

O=C1O[C@@H](CO)CN1c1ccc(-n2ccnc2)c(F)c1.O=C1O[C@@H](COc2ccon2)CN1c1ccc(-n2ccnc2)c(F)c1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CALML3 P27482 7/20 0.50
CYP3A4 P08684 3/20 0.41
CYP2C9 P11712 2/20 0.41
MAOA P21397 9/20 0.41
MAOB P27338 5/20 0.41
CYP2C19 P33261 2/20 0.40
CYP2D6 P10635 1/20 0.39
LMNA P02545 1/20 0.38
PTGS1 P23219 1/20 0.38
SDHA P31040 1/20 0.38

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
SCHEMBL7857432 1.00 CALML3 (0.50) CALML3CYP3A4CYP2C9MAOAMAOB
SCHEMBL7082551 0.96 MAOA (0.43) CALML3CYP3A4CYP2C9MAOAMAOB
SCHEMBL7082548 0.96 MAOA (0.43) CALML3CYP3A4CYP2C9MAOAMAOB
SCHEMBL8111357 0.87 CALML3 (0.64) CALML3CYP3A4CYP2C9MAOAMAOB
SCHEMBL5832691 0.87 CALML3 (0.64) CALML3CYP3A4CYP2C9MAOAMAOB
SCHEMBL5832684 0.87 CALML3 (0.64) CALML3CYP3A4CYP2C9MAOAMAOB
SCHEMBL7077051 0.84 MAOA (0.42) CALML3MAOAMAOBLMNAPTGS1
SCHEMBL7077047 0.84 MAOA (0.42) CALML3MAOAMAOBLMNAPTGS1
SCHEMBL7078471 0.82 MAOA (0.46) CALML3MAOAMAOBLMNAPTGS1
SCHEMBL7078474 0.82 MAOA (0.46) CALML3MAOAMAOBLMNAPTGS1

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-1082323-A2 OXAZOLIDINONE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AstraZeneca UK Limited (GB) 2001-03-14 EP disclosed
WO-1999064417-A2 OXAZOLIDINONE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ASTRAZENECA AB (SE) 1999-12-16 WO disclosed