SCHEMBL9550280

SCHEMBL9550280

CC(=O)NCC1CN(c2ccc(-c3ccc(C#N)cc3)cc2)C(=O)O1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.56
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 6/20 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
SCHEMBL13298924 0.91 MAOA (0.61) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL7699963 0.90 GRM2 (0.53) GRM2MAOAMAOBLMNAPTGS1
SCHEMBL7608729 0.90 GRM2 (0.53) GRM2MAOAMAOBLMNAPTGS1
SCHEMBL7608721 0.90 GRM2 (0.53) GRM2MAOAMAOBLMNAPTGS1
SCHEMBL4573653 0.87 MAOA (0.64) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL4573648 0.87 MAOA (0.64) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL9550299 0.86 MAOA (0.57) GRM2MAOAMAOBLMNAPTGS1
SCHEMBL9550262 0.86 MAOA (0.57) GRM2MAOAMAOBLMNAPTGS1
SCHEMBL9550276 0.86 MAOA (0.57) GRM2MAOAMAOBLMNAPTGS1
SCHEMBL10753989 0.85 MAOA (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 5 patents. 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 disclosed
US-5130316-A Arylbenzene oxazolidinone compounds DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1992-07-14 US disclosed
US-5043443-A Bactericides DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1991-08-27 US disclosed
US-4948801-A Aminomethyloxooxazolidinyl arylbenzene derivatives useful as antibacterial agents E. I. DU PONT DE NEMOURS AND COMPANY (US) 1990-08-14 US disclosed
EP-0352781-A2 Aminomethyloxooxazolidinyl arylbenzene derivatives useful as antibacterial agents THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1990-01-31 EP disclosed