Sugi Predict

Sugi Predict / Compounds / SCHEMBL7069831

SCHEMBL7069831

SCHEMBL7069831

N=C(N)c1cccc(N2CC(COc3cccc4cccnc34)OC2=O)c1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 16/20 0.47
▸ KDM4E B2RXH2 2/20 0.43
▸ HTT P42858 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ MAOA P21397 1/20 0.40
▸ MAOB P27338 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39

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
SCHEMBL7068849 0.91 GRM2 (0.48) GRM2KDM4EALDH1A1
SCHEMBL7069185 0.87 GRM2 (0.53) GRM2MAOAMAOB
SCHEMBL7131582 0.85 GRM2 (0.45) GRM2MAOAMAOB
SCHEMBL2826748 0.84 GRM2 (0.65) GRM2
SCHEMBL7068529 0.84 GRM2 (0.48) GRM2MAOAMAOB
SCHEMBL7389228 0.81 GRM2 (0.60) GRM2MAOAMAOB
SCHEMBL7067345 0.81 GRM2 (0.55) GRM2MAOAMAOB
SCHEMBL7066418 0.81 GRM2 (0.52) GRM2MAOAMAOB
SCHEMBL7387746 0.81 GRM2 (0.59) GRM2
SCHEMBL7067869 0.78 GRM2 (0.45) GRM2MAOAMAOB

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
WO-2003047572-A1 USE OF 1-PHENYL-OXAZOLIDINE-2-ONE COMPOUNDS AS PROTEASE M INHIBITORS MERCK PATENT GMBH (DE) 2003-06-12 — — WO claimed
WO-2003047572-A1 USE OF 1-PHENYL-OXAZOLIDINE-2-ONE COMPOUNDS AS PROTEASE M INHIBITORS MERCK PATENT GMBH (DE) 2003-06-12 — — WO disclosed