SCHEMBL30768255

SCHEMBL30768255

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

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CALML3 P27482 7/20 0.65
MAOA P21397 6/20 0.57
MAOB P27338 6/20 0.57
CYP2C19 P33261 2/20 0.50
CYP2C9 P11712 1/20 0.50
CYP3A4 P08684 2/20 0.49
LMNA P02545 1/20 0.47
PTGS1 P23219 1/20 0.47
SDHA P31040 1/20 0.47
CYP2D6 P10635 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
SCHEMBL441045 1.00 CALML3 (0.65) CALML3MAOAMAOBCYP2C19CYP2C9
SCHEMBL412800 1.00 CALML3 (0.65) CALML3MAOAMAOBCYP2C19CYP2C9
SCHEMBL29406421 1.00 CALML3 (0.65) CALML3MAOAMAOBCYP2C19CYP2C9
SCHEMBL29021122 1.00 CALML3 (0.65) CALML3MAOAMAOBCYP2C19CYP2C9
SCHEMBL30468631 1.00 CALML3 (0.65) CALML3MAOAMAOBCYP2C19CYP2C9
SCHEMBL6052710 0.89 CALML3 (0.54) CALML3MAOAMAOBCYP2C19CYP3A4
SCHEMBL2107338 0.87 F10 (0.52) CALML3MAOAMAOBLMNAPTGS1
SCHEMBL17443340 0.87 CALML3 (0.50) CALML3MAOAMAOBLMNAPTGS1
SCHEMBL17443338 0.87 CALML3 (0.50) CALML3MAOAMAOBLMNAPTGS1
SCHEMBL16686245 0.87 CALML3 (0.50) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117567455-A Novel oxazolidinone compound and synthetic method and application thereof 华创合成制药股份有限公司 2024-02-20 CN disclosed