SCHEMBL8486065

SCHEMBL8486065

COc1cc(N2C[C@H](CNC(C)=O)OC2=O)ccc1-c1cccnc1F

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 7/20 0.56
▸ THRB P10828 1/20 0.52
▸ MAOB P27338 2/20 0.52
▸ PTGS1 P23219 2/20 0.52
▸ SDHA P31040 2/20 0.52
▸ CALML3 P27482 2/20 0.52
▸ LMNA P02545 1/20 0.52
▸ ABCB11 O95342 1/20 0.43

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
SCHEMBL8342936 0.89 MAOA (0.59) MAOAMAOBPTGS1SDHACALML3
SCHEMBL7945883 0.85 MAOA (0.54) MAOATHRBMAOBPTGS1SDHA
SCHEMBL7947020 0.84 MAOA (0.56) MAOATHRBMAOBPTGS1SDHA
SCHEMBL7949639 0.84 MAOA (0.55) MAOATHRBMAOBPTGS1SDHA
SCHEMBL10258874 0.80 MAOA (0.61) MAOATHRBMAOBPTGS1SDHA
SCHEMBL10259390 0.79 MAOA (0.60) MAOATHRBMAOBPTGS1SDHA
SCHEMBL10259129 0.79 MAOA (0.60) MAOATHRBMAOBPTGS1SDHA
SCHEMBL15506988 0.79 MAOA (0.59) MAOATHRBMAOBPTGS1SDHA
SCHEMBL6649952 0.79 MAOA (0.66) MAOAMAOBPTGS1SDHACALML3
SCHEMBL1393599 0.79 MAOA (0.55) MAOATHRBMAOBPTGS1SDHA

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
WO-1999003846-A1 TRICYCLICALLY SUBSTITUTED OXAZOLIDINONES BAYER AKTIENGESELLSCHAFT (DE) 1999-01-28 — — WO disclosed
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