SCHEMBL8802252

SCHEMBL8802252

CC(=O)NC[C@H]1CN(c2cc3ccc(C)nc3s2)C(=O)O1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.52
MAOB P27338 2/20 0.47
LMNA P02545 1/20 0.46
PTGS1 P23219 1/20 0.46
CALML3 P27482 1/20 0.46
SDHA P31040 1/20 0.46
F10 P00742 7/20 0.44
ABCB11 O95342 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL8802639 0.91 MAOA (0.42) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL78334 0.86 F10 (0.60) F10
SCHEMBL8801477 0.85 MAOA (0.49) MAOAMAOBCALML3CYP3A4CYP2C19
SCHEMBL8802025 0.83 MAOA (0.47) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL79974 0.83 F10 (0.40) MAOAMAOBF10
SCHEMBL3156506 0.80 F10 (0.40) F10
SCHEMBL8802258 0.79 MAOA (0.49) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL8566304 0.79 MAOA (0.49) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL8802069 0.78 GRM2 (0.36) MAOAMAOB
SCHEMBL4952446 0.77 MAOA (0.52) 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
EP-0785200-A2 Pyridoannelated thienyl and furamyl-oxazolidinones BAYER AG (DE) 1997-07-23 EP disclosed