SCHEMBL9550293

SCHEMBL9550293

CC(=O)NC[C@@H]1CN(c2ccc(-c3ccc(S(C)(=O)=O)cc3)cc2)C(=O)O1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.53
MAOB P27338 2/20 0.53
LMNA P02545 1/20 0.53
PTGS1 P23219 1/20 0.53
CALML3 P27482 1/20 0.53
SDHA P31040 1/20 0.53
F10 P00742 4/20 0.52
ABCB11 O95342 1/20 0.49

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
SCHEMBL9550260 1.00 MAOA (0.53) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL9815498 0.97 MAOA (0.56) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL13298924 0.91 MAOA (0.61) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL9815544 0.87 F10 (0.52) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL9815569 0.86 MAOA (0.55) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL9550262 0.86 MAOA (0.57) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL9550276 0.86 MAOA (0.57) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL9550299 0.86 MAOA (0.57) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL9550268 0.85 ABCB11 (0.56) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL9550285 0.85 ABCB11 (0.56) 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-5254577-A Aminomethyloxooxazolidinyl arylbenzene derivatives useful as antibacterial agents THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1993-10-19 US claimed