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SCHEMBL8517088

SCHEMBL8517088

CC(=O)NCC1CN(c2ccc(C3=CCOC(CSc4ncccn4)C3)cc2)C(=O)O1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 5/20 0.44
▸ MAOB P27338 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ PTGS1 P23219 1/20 0.44
▸ CALML3 P27482 1/20 0.44
▸ SDHA P31040 1/20 0.44
▸ ABCB11 O95342 1/20 0.43
▸ F10 P00742 6/20 0.41
▸ CMA1 P23946 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
SCHEMBL7024776 1.00 MAOA (0.44) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL7023494 0.84 MAOA (0.51) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL7131053 0.82 ABCB11 (0.43) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL7131064 0.82 ABCB11 (0.43) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL7131051 0.82 MAOA (0.45) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL7125936 0.80 ABCB11 (0.42) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL7127004 0.79 ABCB11 (0.41) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL7019220 0.79 MAOA (0.44) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL7128187 0.78 ABCB11 (0.40) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL7128191 0.78 ABCB11 (0.40) MAOAMAOBLMNAPTGS1CALML3

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
US-5981528-A Antibiotic oxazolidinone derivatives ZENECA LIMITED 1999-11-09 — — US disclosed