SCHEMBL29085083

SCHEMBL29085083

CC(=O)NC[C@H]1CN(c2ccc(N3CCOCC3)nc2)C(=O)O1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.65
MAOB P27338 3/20 0.65
PTGS1 P23219 2/20 0.65
SDHA P31040 2/20 0.65
LMNA P02545 1/20 0.65
CALML3 P27482 1/20 0.65
F10 P00742 12/20 0.56
ABCB11 O95342 1/20 0.51
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48

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
SCHEMBL30536626 1.00 MAOA (0.65) MAOAMAOBPTGS1SDHALMNA
SCHEMBL2088442 0.89 F10 (0.54) MAOAMAOBPTGS1SDHALMNA
SCHEMBL2088445 0.89 F10 (0.54) MAOAMAOBPTGS1SDHALMNA
SCHEMBL30536559 0.88 F10 (0.52) MAOAMAOBPTGS1SDHALMNA
SCHEMBL29085009 0.88 F10 (0.52) MAOAMAOBPTGS1SDHALMNA
SCHEMBL5431183 0.87 MAOB (0.75) MAOAMAOBPTGS1SDHALMNA
SCHEMBL27801854 0.87 MAOB (0.75) MAOAMAOBPTGS1SDHALMNA
SCHEMBL6793136 0.87 MAOA (0.69) MAOAMAOBPTGS1SDHALMNA
SCHEMBL6239389 0.86 F10 (0.56) MAOAMAOBPTGS1SDHALMNA
SCHEMBL6237098 0.86 F10 (0.56) MAOAMAOBPTGS1SDHALMNA

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
CN-116675685-A Pyridine-containing bisoxazolidone compound and synthetic method and application thereof 东北农业大学 2023-09-01 CN claimed
CN-116675685-A Pyridine-containing bisoxazolidone compound and synthetic method and application thereof 东北农业大学 2023-09-01 CN disclosed